SCHEMBL6570034

SCHEMBL6570034

C[C](C)C(C)CCCc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
SLC6A3 Q01959 2/20 0.45
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
NPC1 O15118 1/20 0.40
HTR2B P41595 1/20 0.39
DAO P14920 1/20 0.39
FDFT1 P37268 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL11965207 0.83 TAAR1 (0.53) TAAR1SLC6A3DRD2SLC6A4FDFT1
SCHEMBL6570948 0.81 HTR3E (0.49) TAAR1NPC1IDO1
SCHEMBL25079078 0.80 TAAR1 (0.53) TAAR1SLC6A3DRD2SLC6A4HTR2B
SCHEMBL6569353 0.79 TSHR (0.47) SLC6A3
SCHEMBL14671413 0.79 TAAR1 (0.49) TAAR1SLC6A3DRD2SLC6A4FDFT1
SCHEMBL11965206 0.78 TAAR1 (0.52) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL27602015 0.77 SLC1A1 (0.44) TAAR1SLC6A3DRD2SLC6A4HTR2B
SCHEMBL25770142 0.77 TAAR1 (0.50) TAAR1SLC6A3DRD2SLC6A4
SCHEMBL6570037 0.77 TAAR1 (0.50) TAAR1SLC6A3DRD2SLC6A4
SCHEMBL10586411 0.76 TAAR1 (0.53) TAAR1SLC6A3DRD2SLC6A4NPC1

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
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed