SCHEMBL8282116

SCHEMBL8282116

CCOc1ccc(-c2nnc(Cn3ccnn3)n2-c2ccc(OC)nc2)cc1C

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXTR P30559 19/20 0.75
AVPR1A P37288 15/20 0.75
AVPR2 P30518 6/20 0.75
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8282609 0.86 OXTR (1.00) OXTRAVPR1AAVPR2MEN1KMT2A
SCHEMBL8282084 0.83 OXTR (0.81) OXTRAVPR1AAVPR2MEN1KMT2A
SCHEMBL8281027 0.82 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL8282112 0.81 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL6512287 0.79 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL8282060 0.78 OXTR (0.46) OXTRAVPR1AAVPR2
SCHEMBL8280934 0.74 OXTR (0.81) OXTRAVPR1AAVPR2
SCHEMBL6510715 0.73 OXTR (0.87) OXTRAVPR1AAVPR2
SCHEMBL8282061 0.73 OXTR (0.45) OXTRAVPR1AAVPR2MEN1KMT2A
SCHEMBL6511017 0.71 OXTR (0.80) OXTRAVPR1AAVPR2

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-2005082866-A2 SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-09-09 WO disclosed