SCHEMBL18435362

SCHEMBL18435362

CC(C)N1c2ccccc2C[C@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCG P05129 2/20 0.43
▸ PRKCA P17252 2/20 0.43
▸ PRKCD Q05655 2/20 0.43
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ACE P12821 3/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ PRKCB P05771 1/20 0.37
▸ PRKCH P24723 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37

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
SCHEMBL17656222 0.85 DRD2 (0.39) DRD2DRD4ACE
SCHEMBL10274326 0.85 DRD2 (0.39) DRD2DRD4ACE
SCHEMBL13006634 0.81 LMNA (0.40) DRD2DRD4ACE
SCHEMBL23761367 0.77 PRKCD (0.49) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL6099395 0.77 PRKCD (0.49) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL7823659 0.77 PRKCD (0.49) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL11395616 0.77 MTNR1A (0.37) ACE
SCHEMBL26724341 0.76 NOTUM (0.40) ACENOTUM
SCHEMBL26729559 0.76 ACE (0.40) ACE
SCHEMBL13831608 0.75 NOTUM (0.50) NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861581-B9 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-08-30 — — EP disclosed
EP-2861581-B1 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-02-01 — — EP disclosed
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