SCHEMBL7335778

SCHEMBL7335778

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OC(C)CCN

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.43
AVPR1A P37288 5/20 0.43
AVPR1B P47901 5/20 0.43
LPAR1 Q92633 3/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
CCR8 P51685 2/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7345381 1.00 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7335761 1.00 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7347153 0.99 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7339517 0.99 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7339497 0.99 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7778619 0.93 AVPR2 (0.40) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7336963 0.93 AVPR2 (0.40) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7342281 0.93 AVPR2 (0.40) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7336806 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7336828 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BLPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed