SCHEMBL2801158

SCHEMBL2801158

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)cc(C(=O)N3CCC4(CC3)OCc3ccccc34)nc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.43
AVPR2 P30518 1/20 0.43
SPR P35270 1/20 0.41
OPRL1 P41146 2/20 0.39
OXTR P30559 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL2803194 0.85 AVPR1A (0.45) AVPR1AAVPR2SPROPRL1OXTR
SCHEMBL16390887 0.76 ALDH1A1 (0.39) AVPR1AALDH1A1USP2TSHRKDM4E
SCHEMBL2799905 0.76 AVPR1A (0.46) AVPR1AAVPR2SPROPRL1OXTR
SCHEMBL16390878 0.73 ALDH1A1 (0.39) ALDH1A1USP2TSHRKDM4EHPGD
SCHEMBL2803834 0.72 RBP4 (0.40) OPRL1ALDH1A1TSHR
SCHEMBL16390772 0.72 GSK3B (0.38) ALDH1A1USP2TSHRKDM4EHPGD
SCHEMBL2804011 0.72 NPY5R (0.42) AVPR1A
SCHEMBL2801650 0.71 AVPR1A (0.46) AVPR1AAVPR2SPROPRL1OXTR
SCHEMBL2801247 0.70 IDO1 (0.39) AVPR1AALDH1A1KDM4EHPGD
SCHEMBL2802503 0.69 CCR5 (0.34) ALDH1A1USP2TSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP disclosed