SCHEMBL5848627

SCHEMBL5848627

OC1(c2ccccc2)CCN(CCCCn2ccnc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
DRD2 P14416 2/20 0.53
OPRL1 P41146 2/20 0.51
CCR3 P51677 1/20 0.51
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
TBXAS1 P24557 1/20 0.48
POLB P06746 1/20 0.48
CCR1 P32246 1/20 0.47

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
SCHEMBL5846522 0.88 DRD2 (0.56) SIGMAR1DRD2MEN1LMNAKMT2A
SCHEMBL29284777 0.81 TBXAS1 (0.56) TBXAS1
SCHEMBL5846990 0.78 SIGMAR1 (0.59) SIGMAR1DRD2OPRL1CCR3MEN1
SCHEMBL29284773 0.78 TBXAS1 (0.52) TBXAS1
SCHEMBL5849042 0.77 SIGMAR1 (0.58) SIGMAR1DRD2OPRL1CCR3MEN1
SCHEMBL9370237 0.76 SIGMAR1 (0.72) SIGMAR1DRD2OPRL1CCR3MEN1
SCHEMBL11062805 0.75 SIGMAR1 (0.70) SIGMAR1DRD2OPRL1CCR3MEN1
SCHEMBL11778752 0.75 SIGMAR1 (0.70) SIGMAR1DRD2OPRL1CCR3MEN1
SCHEMBL7233756 0.75 SIGMAR1 (0.70) SIGMAR1DRD2OPRL1CCR3MEN1
SCHEMBL5847869 0.74 SIGMAR1 (0.54) SIGMAR1DRD2OPRL1CCR3MEN1

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
US-RE39113-E1 Utilization of derivatives of tetrahydropyridines(or 4-hydroxypiperidines)-butylazols in the preparation of a medicament for the treatment of pain LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-05-30 US claimed
US-6384055-B1 ANALGESICS LABORATORIOS DEL DR. ESTEVES, S.A. (ES) 2002-05-07 US claimed