SCHEMBL5010991

SCHEMBL5010991

Cc1ccc(C2=NOC3(CCCCC3)N2OC(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.41
FAAH O00519 1/20 0.41
PAX8 Q06710 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
MCHR1 Q99705 2/20 0.38
MAPT P10636 1/20 0.36
KIF11 P52732 1/20 0.36
TNIK Q9UKE5 1/20 0.35
CCR3 P51677 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL5012816 0.73 FPR1 (0.40) TRPV1FAAHPAX8FPR1FPR2
SCHEMBL5051053 0.69 TRPA1 (0.51) TRPV1
SCHEMBL5015806 0.67 TRPM8 (0.40) TRPV1FAAHKIF11
SCHEMBL5014417 0.65 TRPV1 (0.41) TRPV1FAAHMCHR1MAPTNPC1
SCHEMBL5012223 0.65 TRPV1 (0.41) TRPV1FAAHMCHR1MAPTNPC1
SCHEMBL5124232 0.65 TRPM8 (0.52) TRPV1PAX8MAPT
SCHEMBL5014470 0.64 ABCG2 (0.42) MAPTRAB9ASMN1; SMN2LMNATP53
SCHEMBL5014416 0.64 TRPM8 (0.42) TRPV1FAAHCCR3RAB9ASMN1; SMN2
SCHEMBL5014386 0.64 KMT2A (0.39) TRPV1FAAHMAPTKIF11LMNA
SCHEMBL5012959 0.64 KMT2A (0.39) TRPV1FAAHMAPTKIF11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO disclosed