SCHEMBL7349028

SCHEMBL7349028

COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1

nearest known ligand 0.94

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.76
AVPR2 P30518 3/20 0.76
OXTR P30559 2/20 0.76

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
SCHEMBL7354363 0.99 AVPR1A (0.74) AVPR1AAVPR2OXTR
SCHEMBL8561617 0.87 AVPR2 (0.60) AVPR1AAVPR2OXTR
SCHEMBL7351118 0.86 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL7346038 0.86 AVPR1A (0.68) AVPR1AAVPR2OXTR
SCHEMBL6970306 0.86 AVPR2 (0.62) AVPR1AAVPR2OXTR
SCHEMBL7353430 0.85 AVPR1A (0.67) AVPR1AAVPR2OXTR
SCHEMBL7343665 0.85 AVPR1A (0.98) AVPR1AAVPR2OXTR
SCHEMBL8713738 0.85 AVPR1A (0.78) AVPR1AAVPR2OXTR
SCHEMBL6970776 0.85 AVPR2 (0.66) AVPR1AAVPR2OXTR
SCHEMBL8558289 0.85 AVPR2 (0.60) 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
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed