SCHEMBL2373459

SCHEMBL2373459

COC(=O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 17/20 0.44
NR1I2 O75469 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TACR2 P21452 1/20 0.39
TACR3 P29371 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CASP6 P55212 1/20 0.37

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
SCHEMBL2372101 0.92 TRPV4 (0.52) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2372456 0.91 TRPV4 (0.48) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373237 0.91 TRPV4 (0.49) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373587 0.90 TRPV4 (0.53) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373123 0.90 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373460 0.90 TRPV4 (0.42) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2461917 0.89 TRPV4 (0.43) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373547 0.89 TRPV4 (0.41) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373393 0.89 TRPV4 (0.42) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL2373609 0.89 TRPV4 (0.47) TRPV4NR1I2TACR2TACR3KCNH2

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-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed