SCHEMBL6775700

SCHEMBL6775700

NNC(=O)CN1CCCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
KMT2A Q03164 5/20 0.51
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CCR2 P41597 4/20 0.51
MEN1 O00255 3/20 0.50
KCNA3 P22001 1/20 0.49
CCR5 P51681 3/20 0.47
OPRL1 P41146 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL6765593 0.85 CCR2 (0.57) CCR2KCNA3CCR5OPRL1ALDH1A1
SCHEMBL8572593 0.83 CCR2 (0.56) CCR2KCNA3CCR5OPRL1ALDH1A1
SCHEMBL8565906 0.81 CCR2 (0.54) CCR2KCNA3CCR5OPRL1ALDH1A1
SCHEMBL8572588 0.80 CCR2 (0.53) CCR2KCNA3CCR5OPRL1ALDH1A1
SCHEMBL13961156 0.78 KCNA3 (0.58) LMNAKCNA3CCR5OPRL1CYP2D6
SCHEMBL14859945 0.78 LMNA (0.75) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL20184188 0.78 KMT2A (0.68) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6770020 0.75 KMT2A (0.58) KMT2ACCR2MEN1KCNA3ALDH1A1
Prozapine SCHEMBL25765 0.75 ALDH1A1 (0.66) CCR2KCNA3OPRL1ALDH1A1CYP2D6
Fenpiprane SCHEMBL24507 0.75 ALDH1A1 (0.66) CCR2KCNA3OPRL1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed