SCHEMBL9114433

SCHEMBL9114433

[CH2]c1ccc(NCCc2cccc(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
GPR84 Q9NQS5 1/20 0.50
CNR1 P21554 1/20 0.48
FFAR1 O14842 1/20 0.47
NOS1 P29475 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOS3 P29474 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL9115413 0.90 TAAR1 (0.50) TAAR1GPR84CNR1FFAR1NOS1
SCHEMBL9115392 0.89 TAAR1 (0.49) TAAR1GPR84CNR1FFAR1NOS1
SCHEMBL3906108 0.84 L3MBTL1 (0.66) TAAR1GPR84CNR1FFAR1NOS1
SCHEMBL26267889 0.83 TAAR1 (0.58) TAAR1GPR84CNR1FFAR1NOS1
SCHEMBL27858711 0.80 TAAR1 (0.57) TAAR1FFAR1SLC6A3
SCHEMBL7835625 0.80 L3MBTL1 (0.70) TAAR1FFAR1L3MBTL1KDM4EADRA2A
SCHEMBL5541449 0.80 TAAR1 (0.57) TAAR1GPR84CNR1FFAR1NOS1
SCHEMBL97039 0.76 NPC1 (0.61) TAAR1CNR1
SCHEMBL6692696 0.74 FFAR1 (0.67) TAAR1FFAR1NOS1L3MBTL1
SCHEMBL3903471 0.74 L3MBTL1 (0.66) TAAR1GPR84FFAR1L3MBTL1KDM4E

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-0648202-A1 SUBSTITUTED (ARYLALKYLAMINOBENZYL)AMINOPROPIONAMIDE DERIVATIVES, THEIR PREPARATION AND USE ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS. PHARMACIA SPA (IT) 1995-04-19 EP disclosed