SCHEMBL6178566

SCHEMBL6178566

CC(c1ccccc1)n1cncc1CCNC(=O)[C@H]1CNCCN1C(=O)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FKBP1A P62942 2/20 0.37
CYP1A2 P05177 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 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
SCHEMBL6178568 0.84 FNTA (0.42) FNTAFNTBNPSR1TDP1TSHR
SCHEMBL6179814 0.78 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2
SCHEMBL6180669 0.75 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2
SCHEMBL6767304 0.70 GAA (0.55) FNTAFNTBNPSR1TSHRPOLB
SCHEMBL7682332 0.69 FNTA (0.47) FNTAFNTBTDP1TSHRPOLB
SCHEMBL7682279 0.68 FNTA (0.49) FNTAFNTBPOLBCNR1CNR2
SCHEMBL15226049 0.67 KDM4E (0.48) NPSR1TSHRPOLBALDH1A1HTT
SCHEMBL15225779 0.65 POLB (0.47) NPSR1TSHRPOLBALDH1A1HTT
SCHEMBL6923290 0.61 ALDH1A1 (0.59) TDP1ALDH1A1CYP3A4CYP2C19HPGD
SCHEMBL6922657 0.61 ALDH1A1 (0.59) TDP1ALDH1A1CYP3A4CYP2C19HPGD

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
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed