SCHEMBL27735263

SCHEMBL27735263

O=C(c1cn(C(=O)N2CCCCC2)c2cc(Cl)ccc12)N1CCC(N2[CH]Nc3ccccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
AVPR1A P37288 7/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
TP53BP1 Q12888 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MBTD1 Q05BQ5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 2/20 0.35

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
SCHEMBL27714487 0.86 MGLL (0.43) CNR1AVPR1AMEN1KMT2AL3MBTL1
SCHEMBL27714472 0.84 MGLL (0.43) AVPR1AL3MBTL1ALDH1A1SMN1; SMN2CHRM1
SCHEMBL27714519 0.83 AVPR1A (0.41) CNR1AVPR1ACHRM1
SCHEMBL27714540 0.82 MEN1 (0.48) CNR1AVPR1AMEN1KMT2ASMN1; SMN2
SCHEMBL27735250 0.80 AVPR1A (0.55) CNR1AVPR1ACHRM1
SCHEMBL27735300 0.78 CNR1 (0.40) CNR1AVPR1AMEN1KMT2AL3MBTL1
SCHEMBL3099176 0.78 AVPR1A (0.66) AVPR1AALDH1A1CHRM1
SCHEMBL28771078 0.78 AVPR1A (0.63) AVPR1ACHRM1
SCHEMBL28775337 0.78 LMNA (0.46) CNR1AVPR1AMEN1KMT2AL3MBTL1
SCHEMBL27735308 0.75 TPSAB1 (0.52) CNR1TP53BP1L3MBTL3L3MBTL1MBTD1

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
CN-101268067-A Indol-3-yl-carbonyl-piperidine-benzimidazole derivatives as V1A receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-17 CN claimed
CN-101268067-A Indol-3-yl-carbonyl-piperidine-benzimidazole derivatives as V1A receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed