SCHEMBL7345955

SCHEMBL7345955

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
AVPR2 P30518 3/20 0.40
AVPR1A P37288 3/20 0.40
AVPR1B P47901 3/20 0.40
MET P08581 1/20 0.38
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7338105 0.96 AVPR2 (0.42) MEN1KMT2AAVPR2AVPR1AAVPR1B
SCHEMBL7345660 0.94 MET (0.43) AVPR2AVPR1AAVPR1BMETSMN1; SMN2
SCHEMBL7342173 0.93 AVPR2 (0.43) AVPR2AVPR1AAVPR1BBRD4
SCHEMBL7342320 0.92 AVPR2 (0.41) MEN1KMT2AAVPR2AVPR1AAVPR1B
SCHEMBL7344389 0.91 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7336491 0.91 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7370102 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7349148 0.89 MEN1 (0.44) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7780638 0.88 AVPR2 (0.44) MEN1KMT2AAVPR2AVPR1AAVPR1B
SCHEMBL7345366 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1B

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