SCHEMBL20003613

SCHEMBL20003613

O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCC(CO)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 15/20 0.55
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL30266475 0.87 TRPV4 (0.48) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL20003532 0.84 ACLY (0.53) TRPV4TSHRKMT2ACYP3A4CYP2C19
SCHEMBL20003506 0.79 CYP19A1 (0.60) TRPV4CYP3A4
SCHEMBL5244455 0.78 TSHR (0.53) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL8049836 0.76 EPHX2 (0.45) TRPV4HCRTR1HCRTR2EPHX2
SCHEMBL5716992 0.75 RAB9A (0.61) MEN1ALDH1A1TSHRKMT2ACYP2C19
SCHEMBL5717158 0.75 RAB9A (0.61) MEN1ALDH1A1TSHRKMT2ACYP2C19
SCHEMBL20003550 0.74 TRPV4 (0.58) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL20007988 0.74 TRPV4 (0.58) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL5717058 0.74 HCRTR1 (0.50) TRPV4MEN1ALDH1A1TSHRKMT2A

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
WO-2018055526-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed