SCHEMBL14614976

SCHEMBL14614976

c1ccc2c(c1)CC(CN1CCCC1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GAA P10253 2/20 0.44
METAP1 P53582 2/20 0.44
TSHR P16473 1/20 0.42
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL10082773 0.98 LMNA (0.47) LMNAGAAMETAP1TSHROPRM1
SCHEMBL31599453 0.97 GAA (0.44) LMNAGAAMETAP1TSHROPRM1
SCHEMBL14615180 0.87 GAA (0.43) LMNAGAATSHROPRM1OPRL1
SCHEMBL13400119 0.87 ACHE (0.48) GAAOPRM1OPRL1MAPTHRH3
SCHEMBL14615106 0.86 GAA (0.62) GAATSHROPRM1OPRL1MAPT
SCHEMBL20651289 0.79 CACNA2D1 (0.41) GAATSHRMAPTHRH3SIGMAR1
SCHEMBL10695429 0.77 OPRM1 (0.63) LMNAMETAP1OPRM1OPRL1KCNH2
SCHEMBL10695431 0.77 OPRM1 (0.63) LMNAMETAP1OPRM1OPRL1KCNH2
SCHEMBL9129676 0.77 OPRM1 (0.63) LMNAMETAP1OPRM1OPRL1KCNH2
Hydrochloric Acid SCHEMBL25378396 0.75 OPRM1 (0.61) LMNAMETAP1OPRM1OPRL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757584-A1 Heterocyclic substituted amides, their production and their use Abbott GmbH & Co. KG (DE) 2007-02-28 EP disclosed