SCHEMBL7339346

SCHEMBL7339346

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.42
AVPR1A P37288 7/20 0.42
AVPR1B P47901 6/20 0.42
RXFP1 Q9HBX9 1/20 0.38
BRPF1 P55201 3/20 0.38
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAP3K7 O43318 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 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
SCHEMBL7345366 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7336166 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BBRPF1BRD4
SCHEMBL7336265 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BBRPF1BRD4
Hydrochloric Acid SCHEMBL7335182 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BBRPF1BRD4
SCHEMBL7343158 0.93 AVPR2 (0.46) AVPR2AVPR1AAVPR1BRXFP1BRPF1
SCHEMBL7343561 0.93 AVPR2 (0.43) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7773784 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BBRPF1BRD4
Hydrochloric Acid SCHEMBL7345642 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BBRPF1BRD4
Hydrochloric Acid SCHEMBL7780759 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1BRXFP1BRPF1
SCHEMBL7342173 0.92 AVPR2 (0.43) AVPR2AVPR1AAVPR1BBRPF1BRD4

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-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
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed