SCHEMBL8901810

SCHEMBL8901810

Cc1cccc(N2CCN(C(=O)CCCCCCCOc3ccccc3N3CCN(C)CC3)CC2)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
KMT2A Q03164 6/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 1/20 0.67
AVPR2 P30518 1/20 0.61
AVPR1A P37288 1/20 0.61
MEN1 O00255 5/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL8722760 1.00 MAPT (0.67) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8916658 0.96 MAPT (0.73) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8902625 0.91 MAPT (0.63) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8916918 0.88 CYP1A2 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8724506 0.87 HTR1A (0.67) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8902187 0.87 HTR1A (0.67) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8901177 0.87 HTR1A (0.67) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8722375 0.87 KMT2A (0.50) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8760681 0.86 KMT2A (0.74) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8722757 0.86 DRD2 (0.65) 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-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed