SCHEMBL20053637

SCHEMBL20053637

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)nc3)cc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.45
IKBKE Q14164 6/20 0.40
TBK1 Q9UHD2 6/20 0.40
CTSS P25774 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL15539155 0.90 XDH (0.50) XDHIKBKETBK1
SCHEMBL20053618 0.89 DYRK1A (0.41)
SCHEMBL15537941 0.88 XDH (0.44) XDHIKBKETBK1
SCHEMBL21534990 0.88 XDH (0.46) XDHIKBKETBK1CYP11B1CYP11B2
SCHEMBL20053638 0.87 XDH (0.47) XDHTBK1CYP11B1CYP11B2
SCHEMBL16777086 0.87 CNR2 (0.43) XDHIKBKETBK1
SCHEMBL15539745 0.87 CNR2 (0.43) XDHIKBKETBK1
SCHEMBL20053539 0.86 XDH (0.42) XDHIKBKETBK1CYP11B1CYP11B2
SCHEMBL20053606 0.84 HRH3 (0.42)
SCHEMBL15539747 0.82 XDH (0.40) XDHIKBKETBK1CTSS

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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed