SCHEMBL8561799

SCHEMBL8561799

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.59
AVPR1A P37288 11/20 0.59
OXTR P30559 3/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL8564133 0.91 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8557265 0.91 AVPR2 (0.58) AVPR2AVPR1AOXTRNPC1RAB9A
SCHEMBL8556938 0.88 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL8559867 0.87 RAB9A (0.47) AVPR2AVPR1ARAB9A
SCHEMBL8556908 0.87 RAB9A (0.47) AVPR2AVPR1ANPC1RAB9A
SCHEMBL8561421 0.87 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL8557390 0.87 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL8558373 0.86 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8561432 0.85 AVPR2 (0.55) AVPR2AVPR1ANPC1RAB9AALDH1A1
SCHEMBL8564681 0.85 AVPR2 (0.42) AVPR2AVPR1AHPGD

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
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed