SCHEMBL7337137

SCHEMBL7337137

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1N(C)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.40
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 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
SCHEMBL7345676 0.90 KMT2A (0.43) KMT2AMEN1HPGDAVPR2AVPR1A
SCHEMBL7338964 0.86 KMT2A (0.43) KMT2AMEN1HPGDAVPR2AVPR1A
SCHEMBL7339127 0.86 AVPR2 (0.44) KMT2AMEN1HPGDAVPR2AVPR1A
SCHEMBL7966792 0.85 HPGD (0.42) KMT2AMEN1HPGDAVPR2AVPR1A
Hydrochloric Acid SCHEMBL7780674 0.85 KMT2A (0.42) KMT2AMEN1HPGDAVPR2AVPR1A
Hydrochloric Acid SCHEMBL7342655 0.85 AVPR2 (0.43) KMT2AMEN1HPGDAVPR2AVPR1A
SCHEMBL7424282 0.84 AVPR2 (0.49) KMT2AMEN1HPGDAVPR2AVPR1A
Hydrochloric Acid SCHEMBL7342854 0.84 NPC1 (0.43) KMT2AMEN1HPGDAVPR2AVPR1A
SCHEMBL8662244 0.84 AVPR2 (0.47) KMT2AMEN1HPGDAVPR2AVPR1A
SCHEMBL7346621 0.83 MEN1 (0.43) KMT2AMEN1HPGDAVPR2AVPR1A

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