SCHEMBL20053660

SCHEMBL20053660

CC(C)(CN1CCC(CNc2ccc(-c3ccc(C(O)N4CC[C@H](O)C4)cc3)cc2)CC1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
OPRK1 P41145 2/20 0.35
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
SSTR5 P35346 1/20 0.32
USP30 Q70CQ3 1/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL16777141 0.80 HDAC4 (0.44) CYP2D6OPRK1SSTR5
SCHEMBL15537803 0.80 HDAC4 (0.44) CYP2D6OPRK1SSTR5
SCHEMBL20053698 0.79 SSTR5 (0.34) CARM1PRMT6ACHEBACE1SSTR5
SCHEMBL15539383 0.76 GRM3 (0.41) SSTR5
SCHEMBL16777093 0.76 GRM3 (0.41) SSTR5
SCHEMBL15539256 0.76 GRM3 (0.41) SSTR5
SCHEMBL15540337 0.76 SSTR5 (0.52) CARM1PRMT6ACHEBACE1SSTR5
SCHEMBL16777015 0.75 CHRM4 (0.46) ACHEBACE1SSTR5
SCHEMBL21535007 0.73 HRH3 (0.42) SSTR5
SCHEMBL21534966 0.72 HRH3 (0.42) SSTR5

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