SCHEMBL7080701

SCHEMBL7080701

O=C(NCc1ccccc1)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
TACR3 P29371 9/20 0.49
TACR2 P21452 8/20 0.49
OPRM1 P35372 6/20 0.49
TRPV4 Q9HBA0 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PLAT P00750 1/20 0.44
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7080543 0.93 TACR3 (0.45) LMNATP53TACR3TACR2OPRM1
SCHEMBL6951612 0.88 TACR3 (0.47) LMNATACR3TACR2OPRM1KCNH2
SCHEMBL7076527 0.88 TACR3 (0.54) LMNATACR3TACR2OPRM1KCNH2
Hydrochloric Acid SCHEMBL7077944 0.87 TACR3 (0.47) LMNATACR3TACR2OPRM1KCNH2
SCHEMBL2372430 0.85 TACR3 (0.50) TACR3TACR2OPRM1TRPV4KCNH2
SCHEMBL6582324 0.82 DHODH (0.42) LMNATACR3TACR2OPRM1KCNH2
SCHEMBL6586109 0.80 TRPV4 (0.43) LMNATACR3TACR2OPRM1TRPV4
SCHEMBL6340547 0.79 TACR3 (0.40) LMNATACR3TACR2OPRM1KCNH2
SCHEMBL6601385 0.79 PDE10A (0.43) LMNATP53TACR3TACR2OPRM1
SCHEMBL7076610 0.79 DHODH (0.48) LMNATACR3TACR2OPRM1KCNH2

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