SCHEMBL8916658

SCHEMBL8916658

Cc1cccc(N2CCN(C(=O)CCCOc3ccccc3N3CCN(C)CC3)CC2)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
KMT2A Q03164 6/20 0.73
ALDH1A1 P00352 6/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
RAB9A P51151 2/20 0.73
NPC1 O15118 1/20 0.73
TSHR P16473 1/20 0.73
MAPK1 P28482 1/20 0.73
MEN1 O00255 5/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
AVPR2 P30518 1/20 0.55
AVPR1A P37288 1/20 0.55
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 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
SCHEMBL8901810 0.96 MAPT (0.67) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8722760 0.96 MAPT (0.67) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8902625 0.89 MAPT (0.63) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8760681 0.88 KMT2A (0.74) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8916918 0.85 CYP1A2 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8722757 0.84 DRD2 (0.65) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8902002 0.83 KMT2A (0.58) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8902187 0.83 HTR1A (0.67) KMT2AALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL8901177 0.83 HTR1A (0.67) KMT2AALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL8724506 0.83 HTR1A (0.67) KMT2AALDH1A1SMN1; SMN2RAB9ATSHR

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-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed