SCHEMBL9065667

SCHEMBL9065667

O=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3cccnc32)c(Cl)c1)c1cccnc1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.59
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.42
AVPR1A P37288 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7308396 0.87 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL7336311 0.81 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL9059943 0.81 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL7342518 0.79 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL5237135 0.78 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL5238090 0.76 AVPR2 (0.57) AVPR2MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL5239551 0.75 AVPR2 (0.67) AVPR2ALDH1A1AVPR1A
SCHEMBL5236665 0.75 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL7319146 0.72 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL5237499 0.71 CRBN (0.46) AVPR2SMN1; SMN2ALDH1A1RAB9AAVPR1A

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-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed