SCHEMBL7087362

SCHEMBL7087362

CN1CCN(C(=O)C2=C[N+](C)(c3cncn3Cc3ccc(Br)cc3)C=C2c2cccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.48
FNTB P49356 14/20 0.48
PGGT1B P53609 7/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2C P28335 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
IDO1 P14902 1/20 0.35
TDO2 P48775 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
SCHEMBL6974275 0.93 FNTA (0.43) FNTAFNTBPGGT1BCYP3A4MAPK1
SCHEMBL7088691 0.93 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6975064 0.93 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6982933 0.92 FNTA (0.45) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7087340 0.92 FNTA (0.59) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6985593 0.91 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7087476 0.89 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6982183 0.88 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7081046 0.88 FNTA (0.42) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6974951 0.86 FNTA (0.42) FNTAFNTBPGGT1BCYP3A4HTR2C

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 3 patents. 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
EP-1045846-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 2000-10-25 EP disclosed
WO-1999028315-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1999-06-10 WO disclosed