SCHEMBL7375342

SCHEMBL7375342

CCOC(=O)CCCCCOc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.39
LMNA P02545 3/20 0.37
MTTP P55157 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 3/20 0.37
AVPR2 P30518 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
AVPR1A P37288 1/20 0.37
MEN1 O00255 1/20 0.37
GBA1 P04062 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
GPR35 Q9HC97 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7374161 0.94 AVPR2 (0.40) PNLIPLMNAMTTPTP53MAPT
SCHEMBL8813868 0.92 MEN1 (0.37) PNLIPLMNATP53MAPTHTT
SCHEMBL7374840 0.92 PYGL (0.41) PNLIPLMNAMTTPMAPTAVPR2
SCHEMBL7376574 0.89 AVPR2 (0.42) LMNAMAPTAVPR2ALDH1A1AVPR1A
SCHEMBL7372644 0.88 ALDH1A1 (0.39) LMNATP53MAPTAVPR2HTT
SCHEMBL7374760 0.88 AVPR2 (0.43) LMNAMAPTAVPR2ALDH1A1AVPR1A
SCHEMBL7376314 0.86 MTTP (0.42) MTTPMAPTHTTALDH1A1MEN1
SCHEMBL7372350 0.86 AVPR2 (0.43) LMNATP53MAPTAVPR2ALDH1A1
SCHEMBL7378378 0.86 AVPR2 (0.42) MTTPAVPR2ALDH1A1AVPR1AMEN1
SCHEMBL7344313 0.86 MEN1 (0.45) PNLIPMAPTHTTALDH1A1MEN1

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