SCHEMBL7679717

SCHEMBL7679717

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(Cl)cc3OC)c(CCC3CCCCC3)s2)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CCKAR P32238 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV4 Q9HBA0 5/20 0.38
F10 P00742 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PLTP P55058 2/20 0.34
LMNA P02545 1/20 0.34
ECE1 P42892 1/20 0.34
F2 P00734 2/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7688740 0.94 MEN1 (0.46) MEN1CCKARKMT2ATRPV4F10
SCHEMBL7688497 0.93 MEN1 (0.39) MEN1CCKARKMT2ATRPV4F10
SCHEMBL7682217 0.92 TRPV4 (0.38) MEN1CCKARKMT2ATRPV4F10
SCHEMBL6703725 0.92 MAPT (0.34) MEN1CCKARKMT2ATRPV4F10
SCHEMBL6702299 0.91 TRPV4 (0.38) MEN1CCKARKMT2ATRPV4F10
SCHEMBL6704667 0.90 TRPV4 (0.33) TRPV4TP53MAPTALDH1A1HPGD
SCHEMBL6702493 0.89 CTSS (0.38) MEN1CCKARKMT2ATRPV4F10
SCHEMBL7685931 0.89 CNR2 (0.41) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL6705254 0.88 TRPV4 (0.33) TRPV4TP53MAPTALDH1A1HPGD
SCHEMBL7679752 0.87 MEN1 (0.38) MEN1CCKARKMT2ATRPV4TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed