SCHEMBL28906127

SCHEMBL28906127

Cn1nnc(-c2ccc(C(F)(F)F)cc2F)c1Cn1ncc(N2CC(OC(F)C(F)F)C2)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
PDE2A O00408 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL26097386 0.95 MCHR1 (0.34) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL26097337 0.93 MCHR1 (0.34) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL26097293 0.92 MCHR1 (0.33) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL24034805 0.89 MCHR1 (0.34) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL28906125 0.89 MCHR1 (0.32) MCHR1PDE2A
SCHEMBL24034811 0.89 MCHR1 (0.34) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL24034690 0.88 MCHR1 (0.36) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL28906114 0.86
SCHEMBL24034813 0.84 FEN1 (0.35) MCHR1PDE2ACYP11B1CYP11B2
SCHEMBL30111757 0.84 MCHR1 (0.33) MCHR1PDE2A

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
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN claimed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed