SCHEMBL5214232

SCHEMBL5214232

Cn1ccnc(N2CC(CCOc3ccccc3F)C2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR4 P31391 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
SCHEMBL5213218 0.74 SCD (0.46) SCDHTR2CKDM4EALDH1A1NPC1
SCHEMBL27599446 0.69 HTR2C (0.36) L3MBTL1MAPTKMT2AHTR2CKDM4E
SCHEMBL1475454 0.68 DCPS (0.46) SCDHTR2CCYP2D6
SCHEMBL5213811 0.68 SCD (0.76) SCDSSTR1SSTR4
SCHEMBL5522793 0.67 L3MBTL1 (0.44) L3MBTL1KMT2AKDM4EMEN1CYP1A2
SCHEMBL5214241 0.67 SCD (0.45) SCDKDM4EALDH1A1NPC1
SCHEMBL1476800 0.67 HCAR2 (0.37) L3MBTL1GAAMAPTHTTKMT2A
SCHEMBL2563921 0.65 SCD (0.73) SCD
SCHEMBL1475168 0.65 SLC6A2 (0.47) L3MBTL1KMT2AKDM4EMEN1CYP1A2
SCHEMBL30674532 0.65 IDO1 (0.52) L3MBTL1MAPTKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 — — EP disclosed
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