SCHEMBL6180585

SCHEMBL6180585

NCCn1cncc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
IDO1 P14902 1/20 0.42
LTA4H P09960 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
HPGDS O60760 1/20 0.37
HTR2A P28223 2/20 0.37
P2RX7 Q99572 1/20 0.36
CALM1 P0DP23 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL8088945 0.80 CYP11B1 (0.55) CYP11B1CYP11B2LOXL2HRH3
SCHEMBL14415972 0.79 CYP11B1 (0.50) CYP11B1CYP11B2IDO1SIGMAR1HTR2A
SCHEMBL13470151 0.74 CYP11B1 (0.49) CYP11B1CYP11B2SIGMAR1HTR2ATAAR1
SCHEMBL8971686 0.73 CYP11B1 (0.68) CYP11B1CYP11B2IDO1HPGDSHTR2A
SCHEMBL20439593 0.73 KCNH2 (0.34)
SCHEMBL1502108 0.72 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL9783717 0.72 CYP11B1 (0.41) CYP11B1CYP11B2IDO1LTA4HHPGDS
SCHEMBL9783703 0.72 CYP11B1 (0.39) CYP11B1CYP11B2IDO1LTA4HHRH3
SCHEMBL531371 0.71 CYP11B1 (0.73) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL6928442 0.71 CYP11B1 (0.56) CYP11B1CYP11B2IDO1SIGMAR1

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 6 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
CN-1181069-C Novel inhibitors of farnesyl-protein transferase ���鹫˾ 2004-12-22 CN disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
CN-1346355-A Novel inhibitors of farnesyl-protein transferase SCHERING CORP (US) 2002-04-24 CN disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed