SCHEMBL7780700

SCHEMBL7780700

COc1cc(C(=O)N(C)c2ccccc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.48
AVPR1A P37288 6/20 0.48
AVPR1B P47901 6/20 0.48
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
BRPF1 P55201 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 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
SCHEMBL7345832 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL8008232 0.93 ALDH1A1 (0.47) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7336278 0.88 AVPR2 (0.48) AVPR2AVPR1AAVPR1BKMT2AMEN1
SCHEMBL7340679 0.88 AVPR2 (0.49) AVPR2AVPR1AAVPR1BKMT2AMEN1
SCHEMBL7780668 0.86 ALDH1A1 (0.44) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7339504 0.86 AVPR2 (0.43) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7335554 0.86 ALDH1A1 (0.45) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7778671 0.85 ALDH1A1 (0.44) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7343158 0.84 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNABRPF1
SCHEMBL8611049 0.84 ALDH1A1 (0.44) AVPR2AVPR1AAVPR1BALDH1A1POLB

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 2 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