SCHEMBL8316010

SCHEMBL8316010

Cc1sccc1CC(=O)Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.40
AVPR1B P47901 3/20 0.40
AVPR2 P30518 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL8315058 0.88 KMT2A (0.43) AVPR1AAVPR2MEN1KMT2A
SCHEMBL8317072 0.85 AVPR1A (0.50) AVPR1AAVPR1BAVPR2
SCHEMBL8313496 0.84 KCNJ5 (0.45) AVPR1AAVPR1BNAMPT
SCHEMBL8316223 0.84 GAA (0.46) MEN1KMT2ALDHALDHB
SCHEMBL7332706 0.83 AVPR2 (0.47) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8313872 0.82 AVPR1A (0.48) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8564664 0.80 NAMPT (0.47) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7331940 0.78 AVPR2 (0.42) AVPR1AAVPR2
SCHEMBL7333364 0.78 AVPR1A (0.61) AVPR1AAVPR2
SCHEMBL8314230 0.78 AVPR1A (0.48) AVPR1AAVPR2

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