SCHEMBL7338684

SCHEMBL7338684

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCC/C=C/C(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
AVPR1B P47901 3/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
SMO Q99835 1/20 0.34
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.34

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 SCHEMBL7778566 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BHDAC1HDAC2
SCHEMBL7337645 0.90 ALDH1A1 (0.40) AVPR2AVPR1AAVPR1BCCNKCCNA2
SCHEMBL7338630 0.88 AVPR2 (0.46) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7340696 0.87 AVPR2 (0.39) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7780840 0.87 AVPR2 (0.45) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7780645 0.87 AVPR2 (0.41) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7341534 0.87 AVPR2 (0.39) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7780587 0.86 AVPR2 (0.41) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7338676 0.86 AVPR2 (0.40) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7780856 0.86 AVPR2 (0.39) AVPR2AVPR1AAVPR1BTP53GAA

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