SCHEMBL8912424

SCHEMBL8912424

Cc1cccc(N2CCN(C(=O)CCCCl)CC2)c1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
KMT2A Q03164 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
ALDH1A1 P00352 4/20 0.72
TSHR P16473 3/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
MAPK1 P28482 1/20 0.72
KDM4E B2RXH2 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 6/20 0.59
MEN1 O00255 4/20 0.59
HTT P42858 3/20 0.59
AR P10275 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.57
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL9987606 0.92 MAPT (0.67) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9052676 0.87 MAPT (0.69) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4079406 0.87 MAPT (0.72) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3301622 0.86 MAPT (0.71) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8901909 0.86 MAPT (0.67) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8902390 0.85 MAPT (0.66) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL22053945 0.82 MAPT (0.72) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8706041 0.81 MAPT (0.71) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9051544 0.81 MAPT (0.71) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8916658 0.81 MAPT (0.73) MAPTKMT2ASMN1; SMN2ALDH1A1TSHR

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
WO-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO disclosed