SCHEMBL6966347

SCHEMBL6966347

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)O)c4cc(Cl)ccc43)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.44
AVPR1A P37288 7/20 0.44
OXTR P30559 1/20 0.43
CYP2C9 P11712 1/20 0.43
AVPR1B P47901 2/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MTTP P55157 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6967424 0.94 AVPR2 (0.46) AVPR2AVPR1AOXTRAVPR1BALDH1A1
SCHEMBL6972475 0.92 AVPR2 (0.48) AVPR2AVPR1AOXTRAVPR1BALDH1A1
SCHEMBL6967409 0.92 AVPR2 (0.48) AVPR2AVPR1AOXTRCYP2C9AVPR1B
SCHEMBL6971506 0.92 AVPR1A (0.54) AVPR2AVPR1ACYP2C9AVPR1BMTTP
SCHEMBL6965369 0.90 AVPR2 (0.54) AVPR2AVPR1AOXTRCYP2C9AVPR1B
SCHEMBL6970903 0.90 AVPR2 (0.46) AVPR2AVPR1AOXTRCYP2C9AVPR1B
SCHEMBL6960416 0.86 AVPR1A (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6971642 0.85 AVPR2 (0.50) AVPR2AVPR1AOXTRAVPR1BALDH1A1
SCHEMBL6965230 0.85 AVPR1A (0.56) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL8961667 0.84 AVPR2 (0.47) AVPR2AVPR1AOXTRAVPR1BMTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed