SCHEMBL7340296

SCHEMBL7340296

CCOc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.44
AVPR1A P37288 5/20 0.44
AVPR1B P47901 5/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KCNMA1 Q12791 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRPF1 P55201 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
SCHEMBL7339504 0.93 AVPR2 (0.43) AVPR2AVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7343098 0.93 AVPR2 (0.41) AVPR2AVPR1AAVPR1BALDH1A1MAPT
SCHEMBL8611049 0.91 ALDH1A1 (0.44) AVPR2AVPR1AAVPR1BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7346549 0.90 AVPR2 (0.43) AVPR2AVPR1AAVPR1BMAPTTP53
SCHEMBL7780638 0.89 AVPR2 (0.44) AVPR2AVPR1AAVPR1BKMT2AMEN1
SCHEMBL8008232 0.89 ALDH1A1 (0.47) AVPR2AVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7346910 0.88 AVPR2 (0.45) AVPR2AVPR1AAVPR1BALDH1A1KMT2A
SCHEMBL7338041 0.88 AVPR2 (0.42) AVPR2AVPR1AAVPR1BALDH1A1KDM4E
SCHEMBL7345832 0.88 AVPR2 (0.46) AVPR2AVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7340110 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1BALDH1A1LMNA

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