SCHEMBL6968846

SCHEMBL6968846

N=C1C[C@@H](C(F)(F)F)[C@@H](CCNCc2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 1/20 0.38
CHRM2 P08172 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL6974305 1.00 MEN1 (0.41) MEN1KMT2ATDP1SIGMAR1MAOA
SCHEMBL6969440 0.81 MEN1 (0.43) MEN1KMT2ATDP1SIGMAR1MAOA
SCHEMBL6976107 0.80 MAN1B1 (0.39) MEN1KMT2ATDP1MAPT
Hydrochloric Acid SCHEMBL27426481 0.80 MEN1 (0.42) MEN1KMT2ATDP1SIGMAR1MAOA
SCHEMBL6978059 0.79 NOS1 (0.44) MEN1KMT2A
SCHEMBL6967461 0.79 NOS1 (0.44) MEN1KMT2A
SCHEMBL6980069 0.79 NOS1 (0.44) MEN1KMT2A
SCHEMBL6977437 0.74 MAOA (0.45) MEN1KMT2ATDP1SIGMAR1MAOA
SCHEMBL6980288 0.74 MAOA (0.45) MEN1KMT2ATDP1SIGMAR1MAOA
SCHEMBL6969182 0.69 MEN1 (0.44) MEN1KMT2ATDP1SIGMAR1MAOA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed