SCHEMBL5014470

SCHEMBL5014470

COc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 4/20 0.41
CYP3A4 P08684 4/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
ELOVL6 Q9H5J4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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 0.94 TRPM8 (0.40) F2F10PRSS1
SCHEMBL5011074 0.92 RAB9A (0.41) TP53MAPTSMN1; SMN2USP2CYP3A4
SCHEMBL5012223 0.91 TRPV1 (0.41) MAPTSMN1; SMN2RAB9AF2F10
SCHEMBL5012816 0.91 FPR1 (0.40) F2F10PRSS1
SCHEMBL5014417 0.91 TRPV1 (0.41) MAPTSMN1; SMN2RAB9AF2F10
SCHEMBL5015755 0.91 F2 (0.46) MAPTSMN1; SMN2CYP3A4RAB9AALDH1A1
SCHEMBL5014416 0.90 TRPM8 (0.42) SMN1; SMN2RAB9A
SCHEMBL5012680 0.90 SMN1; SMN2 (0.44) TP53MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL5015775 0.90 FAAH (0.44) SMN1; SMN2F2F10PRSS1
SCHEMBL5011264 0.89 TRPV1 (0.41) F2F10PRSS1

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