SCHEMBL7367090

SCHEMBL7367090

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.42
AVPR1B P47901 8/20 0.42
AVPR2 P30518 7/20 0.42
MTTP P55157 6/20 0.41
NPY2R P49146 1/20 0.38
F10 P00742 1/20 0.38

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
Hydrochloric Acid SCHEMBL7743963 0.99 AVPR2 (0.42) AVPR1AAVPR1BAVPR2MTTPNPY2R
SCHEMBL7369121 0.96 AVPR2 (0.41) AVPR1AAVPR1BAVPR2MTTPNPY2R
SCHEMBL7374548 0.91 AVPR2 (0.51) AVPR1AAVPR1BAVPR2MTTP
Hydrochloric Acid SCHEMBL7372858 0.87 AVPR1A (0.46) AVPR1AAVPR1BAVPR2MTTPF10
Hydrochloric Acid SCHEMBL7368868 0.86 AVPR2 (0.48) AVPR1AAVPR1BAVPR2MTTP
Hydrochloric Acid SCHEMBL7743953 0.86 AVPR2 (0.43) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL7743965 0.86 AVPR2 (0.52) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL7749369 0.86 AVPR2 (0.49) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL7372148 0.85 MTTP (0.44) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL7373974 0.85 AVPR2 (0.47) AVPR1AAVPR1BAVPR2MTTP

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-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed