SCHEMBL6980281

SCHEMBL6980281

COc1ccccc1CSC1CCCCNC1=N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
QRFPR Q96P65 4/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
LMNA P02545 1/20 0.39
GNAI3 P08754 1/20 0.38
GAA P10253 1/20 0.38
TACR1 P25103 3/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6980287 0.78 EPHX2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28104559 0.74 QRFPR (0.54) MEN1KMT2AQRFPRLMNA
SCHEMBL6980285 0.72 TACR1 (0.42) MEN1KMT2AQRFPRLMNAGNAI3
SCHEMBL17979768 0.66 CHRNB4 (0.58) GNAI3TACR1
SCHEMBL18019869 0.66 CHRNB4 (0.58) GNAI3TACR1
SCHEMBL18019873 0.66 CHRNB4 (0.58) GNAI3TACR1
SCHEMBL11471256 0.65 CHRNB4 (0.57) LMNAGNAI3TACR1
SCHEMBL7341529 0.64 IDO1 (0.55) MEN1KMT2AGAASMN1; SMN2
SCHEMBL28403191 0.64 IDO1 (0.55) LMNAGAASMN1; SMN2
SCHEMBL7446651 0.64 CYP2D6 (0.50) MEN1KMT2ALMNAHRH3HPGD

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