SCHEMBL7688465

SCHEMBL7688465

N#CCCn1c(C(=O)OCc2ccccc2)cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
F10 P00742 4/20 0.52
F2 P00734 1/20 0.52
SRC P12931 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
MEN1 O00255 1/20 0.47
CCR2 P41597 3/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL28099443 0.85 KDM4E (0.65) CNR2F10KDM4ECRHBPCRHR2
SCHEMBL7880746 0.83 MTNR1A (0.62) CNR2KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL8709627 0.82 ALDH1A1 (0.60) CNR2CCR2ALDH1A1CYP1A2POLB
SCHEMBL25893621 0.81 F10 (0.57) F10F2SRCKDM4ECRHBP
SCHEMBL7682421 0.80 MTNR1A (0.51) F10F2SRCKDM4ECRHBP
SCHEMBL28111591 0.79 KDM4E (0.63) CNR2F10KDM4ECRHBPCRHR2
SCHEMBL22258127 0.78 MCL1 (0.60) F10F2SRCKMT2ANOD2
SCHEMBL6706252 0.78 KMT2A (0.40) F10KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7682048 0.77 KMT2A (0.57) F10F2SRCKDM4ECRHBP
SCHEMBL8689867 0.77 KDM4E (0.54) CNR2F10F2SRCKDM4E

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 2 patents. 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
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 CN disclosed