SCHEMBL8659758

SCHEMBL8659758

CC(C)CC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(=N)N)NC1=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.65
ROR1 Q01973 1/20 0.58
MC4R P32245 9/20 0.57
MC5R P33032 9/20 0.57
MC3R P41968 9/20 0.57
MC1R Q01726 9/20 0.57
TSLP Q969D9 8/20 0.55

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
SCHEMBL8656601 0.90 KDM4A (0.53) KDM4AROR1MC4RMC5RMC3R
SCHEMBL29924992 0.89 MC4R (0.58) KDM4AMC4RMC5RMC3RMC1R
SCHEMBL29924705 0.87 MC4R (0.57) KDM4AMC4RMC5RMC3RMC1R
SCHEMBL4602527 0.84 TACR2 (0.65) KDM4AMC4RMC5RMC3RMC1R
SCHEMBL25941528 0.82 PCSK9 (0.62) KDM4ATSLP
SCHEMBL8657322 0.81 KDM4A (0.65) KDM4AMC4RMC5RMC3RMC1R
SCHEMBL25942530 0.80 PCSK9 (0.61) KDM4AROR1TSLP
SCHEMBL14588779 0.80 CXCR4 (0.51) KDM4A
SCHEMBL30538860 0.79 TACR2 (0.56) ROR1
SCHEMBL21429006 0.79 TACR2 (0.56) ROR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741743-A1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1996-11-13 EP claimed
WO-1995021187-A1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1995-08-10 WO claimed
EP-0741743-B1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL PHARMA INC (US) 1998-10-14 EP disclosed
EP-0741743-A1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1996-11-13 EP disclosed
US-5521156-A HEXAPEPTIDES AND OCTAPEPTIDES MERRELL PHARMACEUTICALS INC. (US) 1996-05-28 US disclosed
WO-1995021187-A1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1995-08-10 WO disclosed