SCHEMBL23168917

SCHEMBL23168917

CCCC(C)N1CCC(C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
UBE2M P61081 7/20 0.33
DCUN1D1 Q96GG9 7/20 0.33
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL22332273 0.91 CYP2D6 (0.41) CYP2D6KCNH2HRH3UBE2MDCUN1D1
SCHEMBL23168732 0.87 HRH3 (0.38) CYP2D6KCNH2HRH3
SCHEMBL19040733 0.84 UBE2M (0.31) UBE2MDCUN1D1
SCHEMBL21776124 0.80 UBE2M (0.34) UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL26627398 0.80 MEN1 (0.34) CYP2D6KCNH2HRH3KMT2A
SCHEMBL21025310 0.78 HRH3 (0.50) CYP2D6KCNH2HRH3
SCHEMBL4099236 0.78 HRH3 (0.50) CYP2D6KCNH2HRH3
SCHEMBL1104717 0.78 HRH3 (0.50) CYP2D6KCNH2HRH3
SCHEMBL26530253 0.77 HRH3 (0.39) CYP2D6KCNH2HRH3KMT2APAX8
SCHEMBL24139965 0.76 DRD2 (0.40) CYP2D6KCNH2HRH3

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-2021057872-A1 PROTAC SMALL MOLECULE COMPOUND AND APPLICATION THEREOF 珠海宇繁生物科技有限责任公司 2021-04-01 WO disclosed