SCHEMBL5745166

SCHEMBL5745166

[CH2]CSc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
ACHE P22303 1/20 0.38
NFE2L2 Q16236 1/20 0.37
EPHX1 P07099 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CTSK P43235 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL30833436 0.82 HAO1 (0.42) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL777766 0.82 HAO1 (0.42) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL27675302 0.78 EPHX1 (0.40) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL776700 0.78 ACHE (0.43) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL5977747 0.77 CA12 (0.33) IDO1
SCHEMBL10019247 0.75 ALDH1A1 (0.38) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL777274 0.75 EPHX1 (0.38) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL2799059 0.75 ALDH1A1 (0.38) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL6610517 0.75 HTR1A (0.40) MAOAMAOBHAO1ACHENFE2L2
SCHEMBL10019246 0.75 MAPT (0.41) MAOAMAOBHAO1EPHX1GRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed