SCHEMBL20436342

SCHEMBL20436342

Cc1ccc2c(ccn2CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 1/20 0.40
MCL1 Q07820 2/20 0.39
FABP4 P15090 2/20 0.39
TNF P01375 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMO O15229 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL23612431 0.85 MTNR1A (0.41) MTNR1AMTNR1BLMNATNFHDAC8
SCHEMBL23612433 0.84 S1PR1 (0.38) HTR2CMTNR1AMTNR1BLMNATNF
SCHEMBL20424510 0.83 KDM4E (0.44) MTNR1AMTNR1BMCL1KMOMAPT
SCHEMBL3596244 0.82 LMNA (0.60) HTR2AHTR2CCDK4CCND1MTNR1A
SCHEMBL10165540 0.82 HTR2A (0.48) HTR2AHTR2CCDK4CCND1MTNR1A
SCHEMBL20424546 0.82 MAPT (0.42) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL18935522 0.81 MTNR1A (0.51) HTR2AHTR2CMTNR1AMTNR1BLMNA
SCHEMBL13345643 0.80 KMO (0.56) HTR2AHTR2CCDK4CCND1LMNA
SCHEMBL16234631 0.80 HTR2A (0.51) HTR2AHTR2CCDK4CCND1MTNR1A
SCHEMBL18935520 0.78 BRD4 (0.49) MTNR1AMTNR1BHDAC1HDAC8HDAC6

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
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