SCHEMBL8316356

SCHEMBL8316356

Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.49
AVPR2 P30518 4/20 0.49
OXTR P30559 1/20 0.49
ABCB11 O95342 1/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
GLP1R P43220 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL8316599 0.92 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL8311577 0.91 AVPR1A (0.51) AVPR1AAVPR2OXTR
SCHEMBL8317666 0.90 AVPR1A (0.46) AVPR1AAVPR2
SCHEMBL7333364 0.90 AVPR1A (0.61) AVPR1AAVPR2OXTR
SCHEMBL8318313 0.90 AVPR2 (0.45) AVPR1AAVPR2
SCHEMBL8316512 0.89 MEN1 (0.48) AVPR1AAVPR2OXTR
SCHEMBL8315532 0.86 AVPR1A (0.55) AVPR1AAVPR2OXTR
SCHEMBL8318225 0.86 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL8314230 0.84 AVPR1A (0.48) AVPR1AAVPR2OXTR
SCHEMBL8315606 0.84 AVPR1A (0.47) AVPR1AAVPR2OXTR

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-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed