SCHEMBL7166157

SCHEMBL7166157

O=C(O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2ccccc2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.50
PTGFR P43088 5/20 0.41
TRPV4 Q9HBA0 5/20 0.37
TACR2 P21452 1/20 0.37
TACR3 P29371 1/20 0.37
OPRM1 P35372 1/20 0.37
P2RY14 Q15391 1/20 0.36

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
SCHEMBL7076609 0.94 DHODH (0.43) DHODHTRPV4TACR2TACR3OPRM1
SCHEMBL6586109 0.90 TRPV4 (0.43) DHODHTRPV4TACR2TACR3OPRM1
SCHEMBL6951612 0.86 TACR3 (0.47) DHODHTACR2TACR3OPRM1
Hydrochloric Acid SCHEMBL7077944 0.85 TACR3 (0.47) DHODHTACR2TACR3OPRM1
SCHEMBL7159967 0.84 DHODH (0.46) DHODHTACR2TACR3OPRM1
SCHEMBL6340547 0.83 TACR3 (0.40) DHODHTACR2TACR3OPRM1
SCHEMBL2372735 0.83 TRPV4 (0.43) DHODHTRPV4TACR2TACR3
SCHEMBL7076610 0.82 DHODH (0.48) DHODHTACR2TACR3OPRM1
SCHEMBL14480370 0.82 TRPV4 (0.40) TRPV4TACR2TACR3
SCHEMBL6582324 0.82 DHODH (0.42) DHODHTACR2TACR3OPRM1

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-1339691-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2003-09-03 EP disclosed
WO-2002044154-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed