SCHEMBL8949336

SCHEMBL8949336

CCOC(=O)c1ncn(CCC(=O)NC(C)(C)c2ccc(Cl)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SCD O00767 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
CYP19A1 P11511 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL8949210 0.86 ALDH1A1 (0.38) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL8447413 0.84 POLB (0.43) KDM4ENPC1RAB9ASCDALDH1A1
SCHEMBL8447444 0.78 POLB (0.41) SCDALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL8444630 0.75 KMT2A (0.50) ALDH1A1MAPTPOLBSMN1; SMN2CNR1
SCHEMBL8446785 0.75 QPCT (0.42) ALDH1A1MAPTPOLBCNR1CNR2
SCHEMBL9372256 0.73 MAPT (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL8949342 0.73 SCD (0.44) KDM4ENPC1RAB9ASCDMAPT
SCHEMBL8446891 0.73 QPCTL (0.41) ALDH1A1MAPTPOLBCNR1CNR2
SCHEMBL8447174 0.70 L3MBTL1 (0.46) KDM4ENPC1RAB9AALDH1A1POLB
SCHEMBL8444627 0.70 SMN1; SMN2 (0.52) SMN1; SMN2CNR1CNR2

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-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed