SCHEMBL11487006

SCHEMBL11487006

CCCNCCC(C)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP17A1 P05093 2/20 0.35
▸ MPO P05164 1/20 0.35

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
SCHEMBL11494252 0.91 TSHR (0.43) MITFLMNACNR1CNR2GPR35
SCHEMBL11606556 0.89 MAPK1 (0.38) MITFLMNACNR1CNR2GPR35
SCHEMBL11485866 0.85 DRD2 (0.46) MEN1KMT2A
SCHEMBL11603164 0.84 AKT1 (0.40) MEN1KMT2A
SCHEMBL11494471 0.84 HTT (0.38) MITFLMNACNR1CNR2GPR35
SCHEMBL11486667 0.84 POLB (0.38) MITFLMNACNR1CNR2GPR35
SCHEMBL11490552 0.83 SLC6A3 (0.38) MITFLMNACNR1CNR2GPR35
SCHEMBL19993113 0.83 HTT (0.41) MITFLMNACNR1CNR2GPR35
SCHEMBL13792137 0.83 ALDH1A1 (0.41) HTTALDH1A1HPGDCYP17A1
SCHEMBL11496175 0.81 SLC6A4 (0.45) CYP17A1

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
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 — — US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 — — US disclosed
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