SCHEMBL7540923

SCHEMBL7540923

OCC1(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.37
TRPV3 Q8NET8 4/20 0.36
KIF11 P52732 1/20 0.35
MME P08473 3/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM3 P20309 2/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL3419751 0.76 KCNN4 (0.40) KCNN4KIF11
SCHEMBL20340442 0.70 CNR2 (0.39) CNR2HTTADRB2
SCHEMBL6981631 0.68 OPRL1 (0.40)
SCHEMBL5172588 0.68 CD274 (0.46) TRPV3HTTADRB2
SCHEMBL6246661 0.67 KIF11 (0.39) KCNN4KIF11
SCHEMBL8260653 0.66 MME (0.32) MME
SCHEMBL5219999 0.66 KIF11 (0.38) KCNN4KIF11
SCHEMBL13163124 0.66 CD274 (0.44) TRPV3
SCHEMBL648487 0.65 CTSS (0.54) HTTSMN1; SMN2ADRB2
SCHEMBL10065920 0.63 KCNN4 (0.60) KCNN4KIF11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676960-B1 CYCLOALKYL AMINE BIS-ARYL SQUALENE SYNTHASE INHIBITORS AVENTIS PHARM PROD INC (US) 2002-05-22 EP disclosed
EP-0676960-A4 1995-11-15 EP disclosed
EP-0676960-A1 CYCLOALKYL AMINE BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1995-10-18 EP disclosed
US-5451596-A Cycloalkyl amine bis-aryl squalene synthase inhibitors RHONE POULENC RORER PHARMACEUTICALS INC. (US) 1995-09-19 US disclosed
WO-1994014435-A1 CYCLOALKYL AMINE BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-07 WO disclosed