SCHEMBL6972936

SCHEMBL6972936

CCOCCCn1cncc1[N+]1(C)C=C(C(=O)N(C)CCOC)C(c2cccc3ccccc23)=C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
CNR2 P34972 2/20 0.33
MAPK14 Q16539 1/20 0.31
ITK Q08881 1/20 0.31
CNR1 P21554 1/20 0.30
USP1 O94782 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
SCHEMBL7083958 0.92 HTR2C (0.45) HTR2CFNTAFNTBPGGT1BCNR2
SCHEMBL8162712 0.84 FNTA (0.46) HTR2CFNTAFNTBPGGT1BCNR2
SCHEMBL7084009 0.84 FNTA (0.43) HTR2CFNTAFNTBPGGT1BCNR2
SCHEMBL7185960 0.84 FNTA (0.46) HTR2CFNTAFNTBPGGT1BCNR2
SCHEMBL7138881 0.84 FNTA (0.46) HTR2CFNTAFNTBPGGT1BUSP1
SCHEMBL7066746 0.82 FNTA (0.47) HTR2CFNTAFNTBPGGT1BUSP1
SCHEMBL7187766 0.82 FNTA (0.45) HTR2CFNTAFNTBPGGT1B
SCHEMBL6924592 0.75 FNTA (0.66) HTR2CFNTAFNTBPGGT1BCNR2
SCHEMBL6925962 0.69 FNTA (0.70) HTR2CFNTAFNTBPGGT1BCNR2
SCHEMBL6600740 0.68 FNTA (0.66) HTR2CFNTAFNTBPGGT1BCNR2

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-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP disclosed