SCHEMBL18322951

SCHEMBL18322951

O=CCCN1CCC(Oc2ccc(-c3cnc4ccccc4c3)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.42
CCR3 P51677 11/20 0.39
HRH1 P35367 11/20 0.39
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
CCR2 P41597 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
KCNH2 Q12809 6/20 0.38
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR1A P08908 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL18322881 0.89 PRKCZ (0.42) PRKCZROCK1ROCK2CCR2CHRNB1
SCHEMBL18322937 0.88 PRKCZ (0.41) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL18322938 0.87 CHRNB1 (0.43) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL19888915 0.85 HRH1 (0.41) PRKCZCCR3HRH1ROCK1ROCK2
SCHEMBL18322956 0.85 PRMT5 (0.47) PRKCZCCR3HRH1CHRNB1CHRNB2
SCHEMBL18318090 0.80 PIK3CD (0.44) PRKCZCCR3HRH1
SCHEMBL18318612 0.80 PIK3CA (0.53) PRKCZ
SCHEMBL18322895 0.79 HRH3 (0.40) CCR3HRH1ROCK1ROCK2CCR2
SCHEMBL18318431 0.78 PIK3CA (0.47) PRKCZCCR3HRH1HRH3
SCHEMBL18322929 0.77 CHRNB1 (0.42) PRKCZROCK1ROCK2CCR2CHRNB1

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
EP-3310441-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES Cephalon, Inc. (US) 2018-04-25 EP disclosed
WO-2016205633-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2016-12-22 WO disclosed