SCHEMBL2372430

SCHEMBL2372430

COC(=O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.50
TACR2 P21452 11/20 0.50
OPRM1 P35372 6/20 0.50
KCNH2 Q12809 4/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TRPV4 Q9HBA0 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2372651 0.92 TRPV4 (0.46) TACR3TACR2OPRM1KCNH2KDM4E
SCHEMBL2373237 0.90 TRPV4 (0.49) TACR3TACR2OPRM1KCNH2TRPV4
SCHEMBL6951612 0.89 TACR3 (0.47) TACR3TACR2OPRM1KCNH2POLB
Hydrochloric Acid SCHEMBL7077944 0.89 TACR3 (0.47) TACR3TACR2OPRM1KCNH2POLB
SCHEMBL7080701 0.85 LMNA (0.50) TACR3TACR2OPRM1KCNH2KDM4E
SCHEMBL7076527 0.85 TACR3 (0.54) TACR3TACR2OPRM1KCNH2ALDH1A1
SCHEMBL7165599 0.84 TACR3 (0.43) TACR3TACR2OPRM1KCNH2KDM4E
SCHEMBL6582324 0.83 DHODH (0.42) TACR3TACR2OPRM1KCNH2ALDH1A1
SCHEMBL2372735 0.82 TRPV4 (0.43) TACR3TACR2KCNH2TRPV4
SCHEMBL6586109 0.81 TRPV4 (0.43) TACR3TACR2OPRM1KCNH2POLB

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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed