SCHEMBL8557947

SCHEMBL8557947

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.53
AVPR1A P37288 4/20 0.53
OXTR P30559 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8560074 0.93 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL8556938 0.91 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL8559901 0.90 AVPR2 (0.63) AVPR2AVPR1AOXTR
SCHEMBL8556991 0.90 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL8564133 0.89 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8561944 0.88 AVPR2 (0.48) AVPR2AVPR1ANPC1RAB9A
SCHEMBL8562470 0.87 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL8558202 0.86 HTR1F (0.51) AVPR2AVPR1AOXTR
SCHEMBL8557927 0.85 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8557265 0.85 AVPR2 (0.58) AVPR2AVPR1AOXTRNPC1RAB9A

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