SCHEMBL9187010

SCHEMBL9187010

N#CC12CCN(Cc3ccccc3)CC1C2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
SIGMAR1 Q99720 6/20 0.50
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 1/20 0.45
OPRL1 P41146 2/20 0.43
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9179426 0.85 OPRM1 (0.46) OPRM1SIGMAR1
SCHEMBL13548371 0.82 OPRM1 (0.60) OPRM1SIGMAR1CYP3A4HSD17B10OPRL1
SCHEMBL14001237 0.76 OPRM1 (0.52) OPRM1SIGMAR1CYP3A4HSD17B10OPRL1
SCHEMBL6007693 0.75 SMN1; SMN2 (0.46) SIGMAR1
SCHEMBL6007699 0.75 SMN1; SMN2 (0.46) SIGMAR1
SCHEMBL16926353 0.75 OPRM1 (0.51) OPRM1SIGMAR1CYP3A4HSD17B10OPRL1
SCHEMBL16915579 0.75 OPRM1 (0.51) OPRM1SIGMAR1CYP3A4HSD17B10OPRL1
SCHEMBL20473610 0.75 OPRM1 (0.51) OPRM1SIGMAR1CYP3A4HSD17B10OPRL1
SCHEMBL16926718 0.75 OPRM1 (0.51) OPRM1SIGMAR1CYP3A4HSD17B10OPRL1
SCHEMBL16915737 0.75 OPRM1 (0.51) OPRM1SIGMAR1CYP3A4HSD17B10OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP disclosed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 US disclosed