SCHEMBL16175751

SCHEMBL16175751

Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccc(-c5ccccc5)cc4)CC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.49
FAAH O00519 2/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPY5R Q15761 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL5129896 0.98 TRPM8 (0.51) TRPM8FAAHKMT2ASMN1; SMN2NPC1
SCHEMBL5125112 0.96 TSHR (0.50) TRPM8FAAHKMT2ASMN1; SMN2NPC1
SCHEMBL16175730 0.95 TRPM8 (0.49) TRPM8FAAHSMN1; SMN2EPHX2TRPV1
SCHEMBL5119701 0.91 FAAH (0.48) TRPM8FAAHSMN1; SMN2TSHRCYP2C19
SCHEMBL5130354 0.90 ALDH1A1 (0.54) TRPM8FAAHSMN1; SMN2GAATSHR
SCHEMBL5128806 0.90 HPGD (0.48) TRPM8KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5117044 0.90 TRPM8 (0.52) TRPM8SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL5128916 0.90 TRPM8 (0.52) TRPM8SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL16175638 0.89 TRPV1 (0.52) TRPM8EPHX2TRPV1TSHRCYP2C19
SCHEMBL5129811 0.88 TRPV1 (0.47) TRPM8SMN1; SMN2EPHX2NPC1RAB9A

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed