SCHEMBL8655697

SCHEMBL8655697

[CH2]CCC1CCN(C(=N)N)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.48
TPSD1 Q9BZJ3 7/20 0.48
TPSG1 Q9NRR2 7/20 0.48
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
F2 P00734 3/20 0.41
GAA P10253 1/20 0.37
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 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
SCHEMBL5969150 0.82 TPSAB1 (0.46) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL12514070 0.82 TPSAB1 (0.46) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL8830336 0.79 TPSAB1 (0.45) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL6222860 0.79 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL8830339 0.79 TPSAB1 (0.45) TPSAB1TPSD1TPSG1CPN1CPB2
Hydrochloric Acid SCHEMBL11079847 0.78 TPSAB1 (0.53) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL9059540 0.77 F2 (0.46) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL3163506 0.77 NCF1 (0.48) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL9381035 0.77 F2 (0.46) TPSAB1TPSD1TPSG1CPN1CPB2
SCHEMBL8357898 0.77 F2 (0.46) TPSAB1TPSD1TPSG1CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US claimed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US claimed