SCHEMBL4623484

SCHEMBL4623484

CCCn1c(=O)c2[nH]c(C3CCCCC3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 1.00
ADORA2A P29274 4/20 1.00
ADORA2B P29275 4/20 1.00
ADORA3 P0DMS8 2/20 0.97
MEN1 O00255 1/20 0.97
GMNN O75496 1/20 0.97
LMNA P02545 1/20 0.97
CYP1A2 P05177 1/20 0.97
TSHR P16473 1/20 0.97
PMP22 Q01453 1/20 0.97
KMT2A Q03164 1/20 0.97
HIF1A Q16665 1/20 0.97

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL382422 0.99 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL4621677 0.93 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8576455 0.93 ADORA1 (0.86) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8576778 0.93 ADORA1 (0.88) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8578131 0.93 ADORA1 (0.88) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8356923 0.91 ADORA1 (0.85) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL14903087 0.91 ADORA1 (0.85) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8576452 0.91 ADORA1 (0.84) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8509843 0.91 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8578935 0.91 ADORA1 (0.84) ADORA1ADORA2AADORA2BADORA3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
WO-1993021949-A1 IMMUNOLOGICAL DETECTION AND QUANTIFICATION OF 8-(CYCLOALKYL OR AROMATIC) SUBSTITUTED-1,3-DIPROPYLXANTHINES VANDERBILT UNIVERSITY (US) 1993-11-11 WO claimed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
EP-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 WO disclosed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US disclosed
US-5453426-A Sulfur-containing xanthine derivatives as adenosine antagonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-09-26 US disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
WO-1993021949-A1 IMMUNOLOGICAL DETECTION AND QUANTIFICATION OF 8-(CYCLOALKYL OR AROMATIC) SUBSTITUTED-1,3-DIPROPYLXANTHINES VANDERBILT UNIVERSITY (US) 1993-11-11 WO disclosed
WO-1993021949-A1 IMMUNOLOGICAL DETECTION AND QUANTIFICATION OF 8-(CYCLOALKYL OR AROMATIC) SUBSTITUTED-1,3-DIPROPYLXANTHINES VANDERBILT UNIVERSITY (US) 1993-11-11 WO disclosed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO disclosed
WO-1990012797-A1 SULFER-CONTAINING XANTHINE DERIVATIVES AS ADENOSIN ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1990-11-01 WO disclosed