SCHEMBL8633899

SCHEMBL8633899

CC(=O)c1ccc(N2CCN(Cn3ncc4ccccc43)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
CDK8 P49336 1/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR7 P34969 1/20 0.43
KMO O15229 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL8631570 0.84 MAPT (0.47) KMT2ANPC1POLBHSD17B10RECQL
SCHEMBL8633681 0.84 RECQL (0.50) POLBHSD17B10RECQLL3MBTL1ADRA1D
SCHEMBL8629425 0.82 DRD4 (0.56) POLBRECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL8629124 0.82 DRD4 (0.48) KMT2ANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8630582 0.81 MAPT (0.54) KMT2ANPC1RAB9APOLBHSD17B10
SCHEMBL8631540 0.76 KCNH2 (0.51) RAB9APOLBHSD17B10RECQLL3MBTL1
SCHEMBL8628296 0.74 HTR7 (0.45) POLBHSD17B10RECQLL3MBTL1ALDH1A1
SCHEMBL8627836 0.74 DRD4 (0.45) KMT2ANPC1RAB9APOLBHSD17B10
SCHEMBL29520874 0.74 RECQL (0.53) NPC1RAB9APOLBHSD17B10RECQL
SCHEMBL8631501 0.74 SLC6A4 (0.44) KMT2APOLBHSD17B10RECQLALDH1A1

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
US-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed