SCHEMBL4698991

SCHEMBL4698991

C=CCN=C(N)NCC=C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 1/20 0.42
DDAH1 O94760 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL625299 0.76
SCHEMBL1627388 0.76
SCHEMBL7759973 0.76 ALDH1A1 (0.41) ALDH1A1TSHRKMT2ASMN1; SMN2MAPT
SCHEMBL28111484 0.74
SCHEMBL4556976 0.74
SCHEMBL1389030 0.73 TSHR (0.40) ALDH1A1TSHRKMT2ASMN1; SMN2MAPT
SCHEMBL4698983 0.73 TSHR (0.40) ALDH1A1TSHRKMT2ASMN1; SMN2MAPT
SCHEMBL906226 0.73 ALDH1A1 (0.40) ALDH1A1TSHRKMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11803255 0.71 ALDH1A1 (0.38) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11803259 0.71 ALDH1A1 (0.38) ALDH1A1TSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP claimed
WO-2007077333-A2 USE OF A NEUROPEPTIDE Y ANTAGONIST FOR DAMAGED OR SENSITIVE LIPS L'OREAL (FR) 2007-07-12 WO claimed
EP-1093803-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 EP disclosed
WO-2003037326-A1 SOLID PHASE SYNTHESIS OF CHEMICAL LIBRARIES CORVAS INTERNATIONAL, INC. (US) 2003-05-08 WO disclosed
EP-0838217-B1 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SYNTHELABO (FR) 2003-01-15 EP disclosed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-1132463-A2 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-09-12 EP disclosed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 EP disclosed
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 US disclosed
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 EP disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed