SCHEMBL6870883

SCHEMBL6870883

[CH2]Cc1cccc(F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
TAAR1 Q96RJ0 4/20 0.37
IDO1 P14902 2/20 0.34
FFAR1 O14842 1/20 0.34
GRM2 Q14416 1/20 0.33
CYP2A13 Q16696 1/20 0.32
MPO P05164 2/20 0.32
SLC6A4 P31645 2/20 0.32
LMNA P02545 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AOC3 Q16853 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL27801971 0.83 TAAR1 (0.39) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL28528505 0.79 GABRA1 (0.46) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL29760840 0.79 GABRA1 (0.41) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL286672 0.79 GABRA1 (0.41) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL31145066 0.77 GPR84 (0.42) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL20560743 0.77 GABRA1 (0.39) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL20516864 0.77 TAAR1 (0.46) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL15352075 0.77 GABRA1 (0.44) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL16941868 0.77 GABRA1 (0.70) GABRA1GABRB2GPR84TAAR1IDO1
SCHEMBL27484409 0.77 GABRA1 (0.39) GABRA1GABRB2GPR84TAAR1IDO1

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-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed