SCHEMBL7369121

SCHEMBL7369121

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(c3ccncc3)CC2)ccc1NC(=O)c1ccccc1-c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.41
AVPR1A P37288 7/20 0.41
AVPR1B P47901 7/20 0.41
MTTP P55157 6/20 0.39
NPY2R P49146 1/20 0.37
F10 P00742 2/20 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
SCHEMBL7367090 0.96 AVPR1A (0.42) AVPR2AVPR1AAVPR1BMTTPNPY2R
Hydrochloric Acid SCHEMBL7743963 0.96 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMTTPNPY2R
Hydrochloric Acid SCHEMBL7368868 0.90 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7373242 0.89 AVPR2 (0.52) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7374548 0.87 AVPR2 (0.51) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7376477 0.86 MTTP (0.42) AVPR2AVPR1AAVPR1BMTTP
Hydrochloric Acid SCHEMBL7372858 0.84 AVPR1A (0.46) AVPR2AVPR1AAVPR1BMTTPF10
SCHEMBL7369177 0.83 AVPR2 (0.50) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7373974 0.83 AVPR2 (0.47) AVPR2AVPR1AAVPR1BMTTP
Hydrochloric Acid SCHEMBL7743953 0.83 AVPR2 (0.43) AVPR2AVPR1AAVPR1BMTTP

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed