SCHEMBL30224580

SCHEMBL30224580

CC1(C)OB([C@H]2C[C@@H]2c2ccc(C(F)(F)F)nc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
KDM1A O60341 6/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
KCNH2 Q12809 1/20 0.34
SSTR4 P31391 3/20 0.34
CETP P11597 1/20 0.33
HDAC4 P56524 1/20 0.33
CHRNA7 P36544 1/20 0.33
NLRP3 Q96P20 1/20 0.32
SSTR1 P30872 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
SCHEMBL30224216 0.82
SCHEMBL30224944 0.81 LIPE (0.33) CHRNA7
SCHEMBL23994458 0.81 CHRNB2 (0.47) CHRNA7
SCHEMBL30181803 0.81 CHRNB2 (0.47) CHRNA7
SCHEMBL25004997 0.81 CHRNB2 (0.47) CHRNA7
SCHEMBL23994030 0.79 HTR2C (0.45) KDM1AMAOBMAOACHRNA7
SCHEMBL23994065 0.79 HTR2C (0.45) KDM1AMAOBMAOACHRNA7
SCHEMBL23994772 0.79 HTR2C (0.45) KDM1AMAOBMAOACHRNA7
SCHEMBL25004725 0.79 HTR2C (0.45) KDM1AMAOBMAOACHRNA7
SCHEMBL30181920 0.76 KDM1A (0.33) KDM1AMAOACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed