SCHEMBL22912561

SCHEMBL22912561

CCC1CCN2CCCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
HRH3 Q9Y5N1 2/20 0.34
OPRK1 P41145 1/20 0.33
DPP4 P27487 1/20 0.33
CYP2D6 P10635 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL10863172 0.94 OPRM1 (0.33) HTR6OPRM1OPRL1HRH3OPRK1
SCHEMBL22969970 0.88 MEN1 (0.36) HTR6OPRM1OPRL1CYP2D6MEN1
SCHEMBL10860959 0.84 CYP2D6 (0.36) HTR6DPP4CYP2D6MEN1KMT2A
SCHEMBL13181314 0.83 OPRL1 (0.42) OPRM1OPRL1HRH3OPRK1DPP4
SCHEMBL24221674 0.81 HTR6 (0.42) HTR6OPRM1OPRL1MEN1KMT2A
SCHEMBL24146229 0.81 OPRL1 (0.45) OPRM1OPRL1HRH3OPRK1DPP4
SCHEMBL20386431 0.81 OPRL1 (0.45) OPRM1OPRL1HRH3OPRK1DPP4
SCHEMBL10191534 0.81 LTA4H (0.34) HTR6
SCHEMBL7394601 0.80 TDP1 (0.41) HTR6HRH3CYP2D6MEN1KMT2A
SCHEMBL24717530 0.79 LTA4H (0.33) HTR6MEN1KMT2A

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-2021013799-A1 SUBSTITUTED N-PHENYL URACILS, SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed