SCHEMBL7682279

SCHEMBL7682279

O=C(NCCc1cncn1Cc1ccc(Cl)cc1)[C@H]1CN(Cc2ccccc2)CCN1C(=O)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
POLB P06746 1/20 0.47
MC4R P32245 2/20 0.46
CCR2 P41597 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL7682332 0.91 FNTA (0.47) FNTAFNTBPOLBMC4R
SCHEMBL7679202 0.80 FNTA (0.48) FNTAFNTB
SCHEMBL6180669 0.79 FNTA (0.46) FNTAFNTB
SCHEMBL7679247 0.78 FNTA (0.50) FNTAFNTB
SCHEMBL6178568 0.76 FNTA (0.42) FNTAFNTBPOLBMC4R
SCHEMBL6179814 0.76 FNTA (0.46) FNTAFNTB
SCHEMBL7681229 0.73 FNTA (0.48) FNTAFNTB
SCHEMBL7673415 0.72 FNTA (0.52) FNTAFNTB
SCHEMBL8095394 0.71 FNTA (0.60) FNTAFNTB
SCHEMBL4409108 0.71 MMP1 (0.49) FNTAFNTB

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
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US 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