SCHEMBL5012816

SCHEMBL5012816

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccc(C(F)(F)F)cc4)CC3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.38
EPHX2 P34913 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
MCHR1 Q99705 2/20 0.37
TRPM8 Q7Z2W7 5/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
FAAH O00519 1/20 0.36
CCR3 P51677 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
SCHEMBL5015806 0.95 TRPM8 (0.40) EPHX2TRPV1TRPM8F2F10
SCHEMBL5012223 0.93 TRPV1 (0.41) EPHX2TRPV1MCHR1TRPM8F2
SCHEMBL5014417 0.93 TRPV1 (0.41) EPHX2TRPV1MCHR1TRPM8F2
SCHEMBL5014386 0.92 KMT2A (0.39) KMT2ATRPV1FAAH
SCHEMBL5012959 0.92 KMT2A (0.39) KMT2ATRPV1FAAH
SCHEMBL5014416 0.92 TRPM8 (0.42) KMT2AEPHX2TRPV1TRPM8FAAH
SCHEMBL5014470 0.91 ABCG2 (0.42) F2F10PRSS1
SCHEMBL16175698 0.91 EPHX2 (0.43) EPHX2TRPM8
SCHEMBL5011264 0.91 TRPV1 (0.41) EPHX2TRPV1TRPM8F2F10
SCHEMBL5014396 0.91 FAAH (0.41) EPHX2TRPV1TRPM8F2F10

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 4 patents. 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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed