SCHEMBL7359772

SCHEMBL7359772

COc1cc(C(=O)N2CCCCc3cc(Cl)ccc32)ccc1NC(=O)c1ccccc1OCCCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.56
AVPR1A P37288 13/20 0.56
AVPR1B P47901 10/20 0.56
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7354914 0.96 AVPR2 (0.53) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7383926 0.89 AVPR1A (0.49) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7357285 0.88 AVPR1A (0.50) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL4687327 0.87 AVPR2 (0.55) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL4685018 0.87 AVPR1A (0.48) AVPR2AVPR1AAVPR1B
SCHEMBL4687283 0.85 AVPR2 (0.51) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL4688331 0.85 KMT2A (0.48) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL4685480 0.84 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7351822 0.82 AVPR2 (0.52) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL8827701 0.81 F10 (0.51) AVPR2AVPR1AAVPR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed