SCHEMBL21145992

SCHEMBL21145992

CC(C)N1[C@@H]2CCC[C@H]1CC(O)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
OPRL1 P41146 1/20 0.36
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
CHRM4 P08173 3/20 0.34
MAPK1 P28482 1/20 0.31
CYP2D6 P10635 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
SCHEMBL24086863 1.00 LMNA (0.50) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL23475182 1.00 LMNA (0.50) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL23475186 1.00 LMNA (0.50) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL23475246 1.00 LMNA (0.50) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL21145986 1.00 LMNA (0.50) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL21145769 0.91 LMNA (0.61) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL17880968 0.91 LMNA (0.61) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL24487371 0.91 LMNA (0.61) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL24487303 0.91 LMNA (0.61) LMNACYP2C9OPRL1CHRM2CHRM1
SCHEMBL13676329 0.91 LMNA (0.61) LMNACYP2C9OPRL1CHRM2CHRM1

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-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 WO disclosed