SCHEMBL8084064

SCHEMBL8084064

O=C(Cl)CCCc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
NAAA Q02083 1/20 0.48
SLC6A3 Q01959 2/20 0.47
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
CNR1 P21554 1/20 0.46
FFAR1 O14842 1/20 0.44
DAO P14920 1/20 0.44
HTR2B P41595 1/20 0.44
NR3C2 P08235 1/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 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
SCHEMBL19612566 0.93 NAAA (0.55) TAAR1NAAASLC6A3DRD2SLC6A4
SCHEMBL1447034 0.89 TAAR1 (0.53) TAAR1NAAASLC6A3CNR1FFAR1
SCHEMBL315728 0.84 SLC6A3 (0.63) TAAR1NAAASLC6A3DRD2SLC6A4
SCHEMBL2090292 0.84 TAAR1 (0.56) TAAR1NAAASLC6A3DRD2SLC6A4
SCHEMBL10110719 0.83 TAAR1 (0.50) TAAR1NAAASLC6A3DRD2SLC6A4
SCHEMBL8301337 0.81 PLAAT3 (0.58) TAAR1NAAACNR1SMN1; SMN2
SCHEMBL2813238 0.81 TAAR1 (0.49) TAAR1NAAASLC6A3CNR1FFAR1
SCHEMBL11701911 0.79 TAAR1 (0.50) TAAR1SLC6A3CNR1FFAR1NR3C2
SCHEMBL1205707 0.79 MAPT (0.62) TAAR1NAAASLC6A3FFAR1HDAC3
SCHEMBL28229641 0.79 FFAR1 (0.51) TAAR1NAAASLC6A3DRD2SLC6A4

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
CN-1159287-C Anticonvulsant and sentral nervous system-active bis (fluorophenyl) alkylamides NPSҩ�����޹�˾ 2004-07-28 CN disclosed
CN-1284056-A Anticonvulsant and sentral nervous system-active bis (fluorophenyl) alkylamides NPS PHARMA INC (US) 2001-02-14 CN disclosed
EP-1042275-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 2000-10-11 EP disclosed
WO-1999029657-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 1999-06-17 WO disclosed