SCHEMBL9052676

SCHEMBL9052676

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
KMT2A Q03164 6/20 0.69
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
TSHR P16473 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
MAPK1 P28482 1/20 0.69
KDM4E B2RXH2 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TP53 P04637 1/20 0.59
LMNA P02545 6/20 0.59
MEN1 O00255 5/20 0.59
HTT P42858 2/20 0.59
AR P10275 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.57
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 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
SCHEMBL15224127 0.89 AR (0.72) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4079406 0.87 MAPT (0.72) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8912424 0.87 MAPT (0.72) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL9051544 0.86 MAPT (0.71) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8901909 0.86 MAPT (0.67) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8902390 0.85 MAPT (0.66) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL9987606 0.84 MAPT (0.67) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL22053945 0.82 MAPT (0.72) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL15224155 0.82 AR (0.69) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8706041 0.81 MAPT (0.71) MAPTKMT2AALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO disclosed