SCHEMBL4957801

SCHEMBL4957801

[Li]CC(c1ccccc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.62
CYP2C19 P33261 6/20 0.62
CYP3A4 P08684 5/20 0.62
CYP2D6 P10635 5/20 0.62
TSHR P16473 1/20 0.62
CYP2C9 P11712 5/20 0.55
KCNA5 P22460 4/20 0.55
KCNH2 Q12809 4/20 0.55
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
KCNE1 P15382 1/20 0.53
ALDH1A1 P00352 1/20 0.48
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MC4R P32245 3/20 0.42
OPRL1 P41146 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
SCHEMBL3804894 0.98 CYP1A2 (0.66) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL4956722 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL4956702 0.80 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL3729748 0.80 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL3583059 0.80 OPRL1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL1964502 0.80 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL8507420 0.80 OPRL1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL1205831 0.80 OPRL1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL6370617 0.80 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL8916036 0.80 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR

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-20080161519-A1 Catalyst System for Synthesizing Amine Functionalized Rubbery Polymers THE GOODYEAR TIRE & RUBBER COMPANY 2008-07-03 US claimed
EP-1939224-A1 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-07-02 EP claimed