SCHEMBL6887684

SCHEMBL6887684

Cc1ccc(Cn2ccc(C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CACNA1G O43497 2/20 0.48
CACNA1H O95180 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HDAC1 Q13547 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
GFER P55789 1/20 0.46
TP53 P04637 1/20 0.46
DUSP3 P51452 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2615991 0.86 POLB (0.49) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H
SCHEMBL17232475 0.86 NPC1 (0.46) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H
SCHEMBL10247346 0.84 GFER (0.60) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H
SCHEMBL1196573 0.82 KDM4E (0.51) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H
SCHEMBL17229267 0.82 NPC1 (0.43) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H
SCHEMBL1860285 0.81 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H
SCHEMBL29191568 0.79 LMNA (0.57) LMNAALDH1A1MAPTL3MBTL1MEN1
SCHEMBL24185986 0.77 RAB9A (0.53) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H
SCHEMBL15172489 0.76 RAB9A (0.60) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL5906334 0.75 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed