SCHEMBL9434508

SCHEMBL9434508

C=CC(=O)Cc1cnccc1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 18/20 0.43
TACR1 P25103 2/20 0.42

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
SCHEMBL9434729 0.86 MAOA (0.36) GPBAR1
SCHEMBL9433807 0.85 LIMK1 (0.41) GPBAR1
SCHEMBL9433625 0.85 KMT2A (0.35) GPBAR1
SCHEMBL9433586 0.85 MAOA (0.35) GPBAR1TACR1
SCHEMBL9434522 0.83 SLC22A12 (0.44)
SCHEMBL9433534 0.82 GPBAR1 (0.42) GPBAR1
SCHEMBL9433598 0.81 RORC (0.40)
SCHEMBL9433512 0.81 SLC22A12 (0.41) GPBAR1
SCHEMBL9434595 0.80 MEN1 (0.38)
SCHEMBL9433711 0.80 SLC22A12 (0.44)

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed