SCHEMBL7349148

SCHEMBL7349148

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
AVPR2 P30518 2/20 0.38
AVPR1A P37288 2/20 0.38
AVPR1B P47901 2/20 0.38
KCNMA1 Q12791 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP3K7 O43318 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7345034 0.95 AVPR2 (0.40) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7336282 0.93 AVPR2 (0.39) MEN1KMT2AHPGDALDH1A1AVPR2
Hydrochloric Acid SCHEMBL7345288 0.92 AVPR2 (0.38) MEN1KMT2AHPGDALDH1A1AVPR2
SCHEMBL7344389 0.92 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7339127 0.91 AVPR2 (0.44) MEN1KMT2AHPGDALDH1A1AVPR2
Hydrochloric Acid SCHEMBL7336491 0.91 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7342655 0.91 AVPR2 (0.43) MEN1KMT2AHPGDALDH1A1AVPR2
Hydrochloric Acid SCHEMBL7344511 0.90 AVPR2 (0.40) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7345955 0.89 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7336940 0.89 LMNA (0.41) KMT2AHPGDALDH1A1AVPR2AVPR1A

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