SCHEMBL8967058

SCHEMBL8967058

[c]1ccccc1C1CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
ADRA1A P35348 2/20 0.47
CYP2D6 P10635 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR1A P08908 1/20 0.47
OPRM1 P35372 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
GID4 Q8IVV7 1/20 0.44
IDO1 P14902 2/20 0.44
HAO1 Q9UJM8 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4795332 0.90 ADRA1A (0.44) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL9987818 0.76 ADRA1A (0.54) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL9988082 0.75 ADRA2A (0.43) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL29155816 0.75 GID4 (0.52) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL3668028 0.74 ADRA2A (0.54) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL2399221 0.73 ADRA2A (0.43) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL78975 0.73 ADRA2A (0.43) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL29842306 0.73 GID4 (0.62) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL395087 0.73 GID4 (0.62) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL4204524 0.72 ADRA1A (0.59) ADRA2AADRA1ACYP2D6ADRA1DADRA1B

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
EP-0585116-B1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LTD (GB) 1996-02-28 EP claimed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 EP claimed
US-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 EP disclosed