SCHEMBL29976164

SCHEMBL29976164

OCc1cnc(N2CC3CC3C2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.44
AR P10275 3/20 0.42
RBP4 P02753 9/20 0.38
KHK P50053 2/20 0.33
CNR2 P34972 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL23769165 1.00 BTK (0.44) BTKARRBP4KHKCNR2
SCHEMBL18794999 0.86 BTK (0.42) BTKARRBP4KHKCNR2
SCHEMBL18795060 0.78 BTK (0.41) BTK
SCHEMBL23769161 0.78 CNR2 (0.33) BTKCNR2
SCHEMBL23830214 0.77 AR (0.41) BTKARRBP4
SCHEMBL23768861 0.76 BTK (0.47) BTKRBP4
SCHEMBL23774064 0.73 BTK (0.60) BTK
SCHEMBL23753973 0.73 MAPT (0.45) BTKARRBP4
SCHEMBL18815275 0.72 BTK (0.57) BTK
SCHEMBL18795065 0.71 BTK (0.57) BTK

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-115087652-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-05-07 CN disclosed
CN-115087652-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-20 CN disclosed