SCHEMBL9370237

SCHEMBL9370237

OCCCN1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.72
DRD2 P14416 3/20 0.65
OPRL1 P41146 2/20 0.63
POLB P06746 1/20 0.59
CCR3 P51677 1/20 0.58
CCR1 P32246 2/20 0.56
KCNA3 P22001 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL11778752 0.85 SIGMAR1 (0.70) SIGMAR1DRD2OPRL1POLBCCR3
SCHEMBL11062805 0.85 SIGMAR1 (0.70) SIGMAR1DRD2OPRL1POLBCCR3
SCHEMBL7233756 0.85 SIGMAR1 (0.70) SIGMAR1DRD2OPRL1POLBCCR3
SCHEMBL7031418 0.85 TSHR (0.62) SIGMAR1DRD2OPRL1POLBCCR1
SCHEMBL8096481 0.84 SIGMAR1 (1.00) SIGMAR1DRD2OPRL1POLBCCR3
Hydrochloric Acid SCHEMBL11073893 0.84 SIGMAR1 (0.68) SIGMAR1DRD2OPRL1POLBCCR3
SCHEMBL14968144 0.83 TSHR (0.64) SIGMAR1DRD2OPRL1POLBCCR3
SCHEMBL10697451 0.81 SIGMAR1 (0.65) SIGMAR1DRD2OPRL1POLBCCR3
SCHEMBL7104448 0.81 SIGMAR1 (0.65) SIGMAR1DRD2OPRL1POLBCCR3
SCHEMBL11717047 0.81 ALDH1A1 (0.74) SIGMAR1DRD2OPRL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1273135-C Pharmaceutical compositions of N-methyl-D-aspartate receptor antagonists PFIZER PROD INC (US) 2006-09-06 CN disclosed
CN-1479617-A N-methyl-D-aspartate receptor agonist pharmaceutical compositions �Ʒ� 2004-03-03 CN disclosed
EP-0584192-A1 PRODRUG ESTERS OF PHENOLIC 2-PIPERIDINO-1-ALKANOLS PFIZER INC. (US) 1994-03-02 EP disclosed
EP-0398578-A2 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC. (US) 1990-11-22 EP disclosed