SCHEMBL6180507

SCHEMBL6180507

NC1CN(C2CCCCC2)c2ccccc2N(CC(=O)N2CCCC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 4/20 0.51
CCKBR P32239 4/20 0.51
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GFER P55789 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 2/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6177407 0.86 KMT2A (0.40) CCKARCCKBRALDH1A1MEN1KMT2A
SCHEMBL6178926 0.82 CCKBR (0.46) CCKARCCKBRALDH1A1POLB
SCHEMBL19949397 0.82 CCKBR (0.46) CCKARCCKBRALDH1A1POLB
SCHEMBL6193195 0.82 CCKBR (0.46) CCKARCCKBRALDH1A1POLB
SCHEMBL1394355 0.82 CCKBR (0.46) CCKARCCKBRALDH1A1POLB
SCHEMBL541718 0.82 CCKBR (0.46) CCKARCCKBRALDH1A1POLB
Hydrochloric Acid SCHEMBL6178190 0.81 CCKBR (0.45) CCKARCCKBRALDH1A1POLB
SCHEMBL6180501 0.81 CCKBR (0.44) CCKARCCKBRALDH1A1POLB
SCHEMBL8946969 0.81 CCKAR (0.61) CCKARCCKBRALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL6821965 0.80 CCKBR (0.44) CCKARCCKBRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed