SCHEMBL21341950

SCHEMBL21341950

COc1cc(F)c(C2CCCN(C)C2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
DRD2 P14416 3/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL21341964 0.83 KDM2B (0.48) FPR1DRD2DRD3
SCHEMBL21342024 0.83 KDM2B (0.48) HTR2AFPR1FPR2CCNT1CDK9
SCHEMBL21342317 0.82 DRD2 (0.46) FPR1FPR2CCNT1CDK9DRD2
SCHEMBL21342427 0.82 FPR1 (0.48) FPR1FPR2CCNT1CDK9DRD2
SCHEMBL21342436 0.80 DRD2 (0.44) HTR2AFPR1FPR2DRD2DRD3
SCHEMBL11298951 0.80 DRD2 (0.51) HTR2ADRD2KCNH2ALDH1A1DRD3
SCHEMBL21341956 0.77 DRD2 (0.39) HTR2AFPR1FPR2DRD2ALDH1A1
SCHEMBL21341995 0.75 PDE4B (0.46) ALDH1A1
SCHEMBL20976569 0.73 PIK3CD (0.47) HTR2AHTR2C
SCHEMBL13416035 0.73 ALDH1A1 (0.53) DRD2KCNH2ALDH1A1DRD3

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
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed