SCHEMBL7962937

SCHEMBL7962937

COCN1C(=O)C(N)CN(c2ccccc2F)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.38
AADAT Q8N5Z0 1/20 0.36
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
SCN9A Q15858 3/20 0.34
TSHR P16473 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRM5 P41594 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
SCHEMBL6179356 0.85 GRM2 (0.35) MEN1KMT2AGRM2AADATALDH1A1
Hydrochloric Acid SCHEMBL6177549 0.84 GRM2 (0.34) MEN1KMT2AGRM2AADATALDH1A1
SCHEMBL6180323 0.79 ALDH1A1 (0.46) MEN1KMT2AGRM2AADATALDH1A1
SCHEMBL6176328 0.75 MEN1 (0.47) MEN1KMT2AGRM2ALDH1A1SCN9A
SCHEMBL7962381 0.73 KYAT1 (0.40) GRM2AADATALDH1A1GAATSHR
SCHEMBL6178758 0.71 KMT2A (0.42) MEN1KMT2AGRM2SCN9AOPRM1
SCHEMBL6178763 0.71 KMT2A (0.42) MEN1KMT2AGRM2SCN9AOPRM1
SCHEMBL6176690 0.67 KCNH2 (0.34) MEN1KMT2AGRM2AADATSCN9A
SCHEMBL7961430 0.67 MTNR1A (0.40) MEN1KMT2AGRM2ALDH1A1GAA
SCHEMBL28779734 0.65 PARK7 (0.42) MEN1KMT2AAADATALDH1A1OPRM1

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-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