SCHEMBL18596122

SCHEMBL18596122

CCCCC1(C)CCN(C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3631436 0.79 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL21019125 0.78 GRIN2D (0.34) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL27243491 0.78 CHRM2 (0.40) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8179032 0.77 OPRM1 (0.33) OPRM1CHRM2OPRD1OPRK1OPRL1
SCHEMBL19932414 0.76 GRIN2D (0.33) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL648729 0.75
SCHEMBL648728 0.75
SCHEMBL23680494 0.73 CRHBP (0.31)
SCHEMBL12885045 0.73 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1HSD17B10
Water SCHEMBL25398465 0.73

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-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 US disclosed