SCHEMBL4975252

SCHEMBL4975252

CCCC1CCCCN1C(=O)c1csc(-c2ccccc2CC=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
HTR2C P28335 3/20 0.38
TP53 P04637 2/20 0.38
TRPC3 Q13507 2/20 0.38
TRPC6 Q9Y210 2/20 0.38
HCRTR2 O43614 2/20 0.38
HCRTR1 O43613 1/20 0.38
NFE2L2 Q16236 2/20 0.37
KEAP1 Q14145 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RAB9A P51151 3/20 0.37
AKR1C3 P42330 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR2F2 P24468 1/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4973873 0.93 RAB9A (0.43) ACKR3HTR2CTP53TRPC3TRPC6
SCHEMBL4973946 0.85 ACKR3 (0.40) ACKR3HTR2CTRPC3TRPC6CNR1
SCHEMBL5660603 0.84 TP53 (0.44) ACKR3RAF1BRAFHTR2CTP53
SCHEMBL4970307 0.83 CNR1 (0.43) ACKR3HTR2CTRPC3TRPC6CNR1
SCHEMBL4974424 0.81 HTR2C (0.61) ACKR3RAF1BRAFHTR2CTP53
SCHEMBL4972781 0.81 HTR2C (0.38) ACKR3HTR2CTRPC3TRPC6CNR1
SCHEMBL4974086 0.79 HTR2C (0.60) HTR2CTP53RAB9AALDH1A1NPC1
SCHEMBL4973462 0.79 HTR2C (0.60) HTR2CTP53RAB9AALDH1A1NPC1
SCHEMBL4973394 0.78 CNR1 (0.41) ACKR3HTR2CTRPC3TRPC6CNR1
SCHEMBL4973944 0.77 HPGD (0.42) ACKR3HTR2CTP53RAB9AALDH1A1

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-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed