SCHEMBL5188592

SCHEMBL5188592

Clc1ccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.78
▸ MDM2 Q00987 1/20 0.43
▸ TGFBR1 P36897 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL5188598 1.00 P2RX7 (0.78) P2RX7MDM2TGFBR1ALDH1A1MAPK1
SCHEMBL5188601 1.00 P2RX7 (0.78) P2RX7MDM2TGFBR1ALDH1A1MAPK1
SCHEMBL14160076 0.98 P2RX7 (0.76) P2RX7MDM2TGFBR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1223802 0.98 P2RX7 (0.76) P2RX7MDM2TGFBR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1223799 0.98 P2RX7 (0.76) P2RX7MDM2TGFBR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1223804 0.98 P2RX7 (0.76) P2RX7MDM2TGFBR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL10445424 0.90 P2RX7 (0.62) P2RX7MDM2TGFBR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL10445425 0.90 P2RX7 (0.62) P2RX7MDM2TGFBR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL10445426 0.90 P2RX7 (0.62) P2RX7MDM2TGFBR1ALDH1A1MAPK1
SCHEMBL3655715 0.88 P2RX7 (1.00) P2RX7TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051441-A Immunomodulators and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1991-09-24 — — US claimed
JP-2101065-A — — None — — JP disclosed
US-20070270441-A1 Combination ALTANA PHARMA AG (DE) 2007-11-22 — — US disclosed
EP-1448202-A1 COMBINATION OF A PDE4 OR PDE3/4 INHIBITOR AND AN ANTI-RHEUMATIC DRUG ALTANA Pharma AG (DE) 2004-08-25 — — EP disclosed
WO-2003039552-A1 COMBINATION OF PDE4 OR PDE3/4 INHIBITOR AND AN ANTI-RHEUMATIC DRUG ALTANA PHARMA AG (DE) 2003-05-15 — — WO disclosed
US-20030092706-A1 Combination NYCOMED GMBH (DE) 2003-05-15 — — US disclosed
EP-0363061-B1 IMIDAZOLINE DERIVATIVE AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1992-07-22 — — EP disclosed
US-5051441-A Immunomodulators and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1991-09-24 — — US disclosed
JP-H02101065-A IMIDAZOLINE DERIVATIVE TANABE SEIYAKU CO LTD 1990-04-12 — — JP disclosed
EP-0363061-A1 Imidazoline derivative and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-04-11 — — EP disclosed
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