SCHEMBL7375925

SCHEMBL7375925

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCNC(=O)Oc3ccccc3)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 7/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.37
MCHR1 Q99705 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NOD2 Q9HC29 1/20 0.36
PPARG P37231 1/20 0.35
MAPT P10636 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
AVPR1B P47901 1/20 0.35

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
SCHEMBL7375063 0.93 ALDH1A1 (0.36) MTTPALDH1A1PPARGMAPTAVPR2
SCHEMBL7377885 0.93 MTTP (0.43) MTTPALDH1A1GAAAVPR2AVPR1A
SCHEMBL8814196 0.93 GAA (0.37) ALDH1A1GAAMCHR1MAPT
SCHEMBL7374117 0.90 MEN1 (0.42) ALDH1A1GAAMAPT
SCHEMBL7375680 0.88 MEN1 (0.41) ALDH1A1GAAMAPT
SCHEMBL7373144 0.87 MEN1 (0.41) GAAMAPT
SCHEMBL7373196 0.87 MTTP (0.40) MTTPALDH1A1MAPT
SCHEMBL7376100 0.86 ALDH1A1 (0.43) MTTPALDH1A1GAAMCHR1CTDSP1
SCHEMBL7514980 0.85 MCHR1 (0.43) MTTPALDH1A1GAAMCHR1
SCHEMBL7371827 0.84 AVPR2 (0.42) MTTPALDH1A1GAAAVPR2AVPR1A

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed