SCHEMBL13345643

SCHEMBL13345643

Cc1ccc2c(ccn2CCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.56
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
ITGB5 P18084 2/20 0.47
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
TBXAS1 P24557 1/20 0.47
MCL1 Q07820 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.43
FABP4 P15090 1/20 0.43

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
SCHEMBL16234631 0.88 HTR2A (0.51) KMOHTR2AHTR2CCDK4CCND1
SCHEMBL5537950 0.84 KMT2A (0.60) HTR2AHTR2CKDM4EPOLBCDK4
SCHEMBL10165540 0.84 HTR2A (0.48) KMOHTR2AHTR2CCDK4CCND1
SCHEMBL23612457 0.82 KMO (0.54) KMOITGB3ITGAVITGB5ITGB1
SCHEMBL19100386 0.81 KMO (0.56) KMOHTR2AHTR2CITGB3ITGAV
SCHEMBL29758270 0.81 KMO (0.56) KMOHTR2AHTR2CITGB3ITGAV
SCHEMBL1576323 0.81 KMO (0.78) KMOHTR2AHTR2CCDK4CCND1
SCHEMBL12277162 0.81 KMO (0.52) KMOITGB3ITGAVITGB5ITGB1
SCHEMBL23612472 0.81 KMO (0.52) KMOITGB3ITGAVITGB5ITGB1
SCHEMBL20436342 0.80 HTR2A (0.45) KMOHTR2AHTR2CCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 WO disclosed