SCHEMBL8611075

SCHEMBL8611075

COc1cc(C(=O)Nc2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1CNC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 9/20 0.52
▸ AVPR1A P37288 9/20 0.52
▸ AVPR1B P47901 8/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ MTTP P55157 3/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ TP53 P04637 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
SCHEMBL7519206 0.84 TAS1R3 (0.48) TAS1R3TAS1R1MTTPPPARGTP53
SCHEMBL7751057 0.84 AVPR2 (0.51) AVPR2AVPR1AAVPR1BMTTPPPARG
SCHEMBL7374548 0.84 AVPR2 (0.51) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7336797 0.83 AVPR2 (0.50) AVPR2AVPR1AAVPR1BTP53
SCHEMBL7743965 0.82 AVPR2 (0.52) AVPR2AVPR1AAVPR1BMTTP
Hydrochloric Acid SCHEMBL7368868 0.80 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7749369 0.79 AVPR2 (0.49) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7512868 0.79 TAS1R3 (0.56) TAS1R3TAS1R1MTTPPPARGTP53
SCHEMBL7373974 0.78 AVPR2 (0.47) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7475780 0.78 AVPR2 (0.49) AVPR2AVPR1AAVPR1BTP53

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
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 — — EP disclosed
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