SCHEMBL24493075

SCHEMBL24493075

CN1CCC(COc2ccc(CN)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
EP300 Q09472 1/20 0.43
ATM Q13315 2/20 0.41
ACHE P22303 2/20 0.39
NCF1 P14598 1/20 0.39
SLC6A4 P31645 2/20 0.38
ACACB O00763 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KIT P10721 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
SCHEMBL13185267 0.87 HRH3 (0.43) HRH3EP300ATMACHESLC6A4
SCHEMBL20771831 0.87 EP300 (0.49) EP300ACHEACACB
SCHEMBL24493312 0.85 HRH3 (0.46) HRH3EP300SLC6A4ACACB
SCHEMBL2228610 0.83 ATM (0.42) HRH3EP300ATMACHESLC6A4
SCHEMBL15075275 0.81 HRH3 (0.45) HRH3ATMSLC6A4ACACB
SCHEMBL27866561 0.80 EP300 (0.63) EP300
SCHEMBL23012782 0.80 ATM (0.42) HRH3EP300ATMSLC6A4CHRM2
SCHEMBL429671 0.80 LOXL2 (0.51) HRH3NCF1SLC6A4CHRM2CHRM1
SCHEMBL30578250 0.80 LOXL2 (0.51) HRH3NCF1SLC6A4CHRM2CHRM1
SCHEMBL24493078 0.78 HSD11B1 (0.53) HRH3ACACB

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-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed