SCHEMBL7330890

SCHEMBL7330890

C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.77
GRIN2B Q13224 3/20 0.77
GRIN2D O15399 1/20 0.77
GRIN3B O60391 1/20 0.77
GRIN1 Q05586 1/20 0.77
KCNH2 Q12809 1/20 0.77
GRIN2A Q12879 1/20 0.77
GRIN2C Q14957 1/20 0.77
GRIN3A Q8TCU5 1/20 0.77
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
OPRL1 P41146 2/20 0.53

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
SCHEMBL7330874 1.00 CYP2D6 (0.77) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7334898 0.88 CYP2D6 (0.79) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7327591 0.88 CYP2D6 (0.79) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7327597 0.88 CYP2D6 (0.79) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL8603758 0.88 CYP2D6 (0.79) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7334903 0.88 CYP2D6 (0.79) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL8602287 0.88 CYP2D6 (0.79) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL8603128 0.87 KCNH2 (0.77) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL8603125 0.87 KCNH2 (0.77) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL8972350 0.87 KCNH2 (0.77) CYP2D6GRIN2BGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710168-A 2-piperidino-1-alkanol derivatives as neuroprotective agents PFIZER INC. (US) 1998-01-20 US disclosed
US-5527912-A USEFUL INTREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1996-06-18 US disclosed
US-5391742-A Intermediates for 2-piperidino-1-alkanols PFIZER INC. (US) 1995-02-21 US disclosed
US-5338754-A 2-pyrrolidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1994-08-16 US disclosed
US-5272160-A 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1993-12-21 US disclosed
US-5185343-A NORTROPYL-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1993-02-09 US disclosed
WO-1990014088-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed
WO-1990014087-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed