SCHEMBL18322893

SCHEMBL18322893

O=CCCN1CCC(Oc2ccc(-c3cnc4ccccc4c3N3CCOCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 3/20 0.41
HRH3 Q9Y5N1 5/20 0.39
CHRM4 P08173 1/20 0.37
KDR P35968 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
KCNH2 Q12809 4/20 0.37
HTR4 Q13639 2/20 0.37
HTR1A P08908 1/20 0.37
GRM5 P41594 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1A P35348 2/20 0.35

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
SCHEMBL18322930 0.90 SSTR2 (0.43) SSTR2HRH3CHRM4ACVR1KCNH2
SCHEMBL18322980 0.84 HRH3 (0.42) HRH3KCNH2HTR1AHTR2AHTR7
SCHEMBL18322921 0.83 HRH3 (0.42) SSTR2HRH3ACVR1KCNH2HTR1A
SCHEMBL18322878 0.82 SSTR2 (0.46) SSTR2CHRM4TGFBR1ACVR1KCNH2
SCHEMBL18322841 0.81 HRH3 (0.42) HRH3KCNH2HTR1AHTR2AHTR7
SCHEMBL18318480 0.81 PIK3CD (0.44) SSTR2KCNH2
SCHEMBL18318171 0.78 NAMPT (0.50) SSTR2
SCHEMBL18318170 0.78 NAMPT (0.50) SSTR2
SCHEMBL18322938 0.75 CHRNB1 (0.43) HRH3KCNH2ADRA1A
SCHEMBL18319018 0.73 SSTR2 (0.43) SSTR2HRH3

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