SCHEMBL7464237

SCHEMBL7464237

COc1ccc2c(c1)C(=O)NC(C)=CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 3/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
TDP2 O95551 1/20 0.41
PPIB P23284 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
RET P07949 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7476200 0.81 ROS1 (0.44) MAPTALDH1A1CA1CA2CA4
SCHEMBL7467619 0.78 FABP6 (0.45) MAPTTDP2CA1CA2CA7
SCHEMBL6170504 0.74 MAPT (0.55) MAPTALDH1A1TDP2KDM4ETDP1
SCHEMBL8795727 0.73 ALDH1A1 (0.56) MAPTALDH1A1PDE3BPDE3ATDP2
SCHEMBL853592 0.72 MAPT (0.68) MAPTALDH1A1TDP2KDM4EHPGD
SCHEMBL7469213 0.71 ROS1 (0.40) MAPTCA1CA2CA4CA7
SCHEMBL383690 0.71 MAOA (0.59) ALDH1A1PDE3BPDE3ATDP2CA1
SCHEMBL1368163 0.71 MAPT (0.58) MAPTALDH1A1PPIBGAASMN1; SMN2
SCHEMBL853054 0.70 MAPT (0.54) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL853976 0.68 MAPT (0.74) MAPTALDH1A1HPGDNPC1GAA

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-0755930-B1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LTD (JP) 2002-07-31 EP disclosed
US-6337397-B1 A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, SUNTORY LIMITED (JP) 2002-01-08 US disclosed
US-6187769-B1 Benzoxazepine derivatives and their salts and medicaments containing the same SUNTORY LIMITED (JP) 2001-02-13 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed