SCHEMBL8719619

SCHEMBL8719619

CC(C)(C)CC1CCCN(C(=N)N)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.47
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
F2 P00734 3/20 0.41
F10 P00742 1/20 0.38
PRSS2 P07478 1/20 0.38
CTRC Q99895 1/20 0.38
TPSAB1 Q15661 3/20 0.36
TPSD1 Q9BZJ3 3/20 0.36
TPSG1 Q9NRR2 3/20 0.36
IL2RA P01589 1/20 0.35
ALB P02768 1/20 0.35
IL2 P60568 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
SCHEMBL11989241 0.89 EED (0.37) EEDCPN1CPB2F2TPSAB1
SCHEMBL24449560 0.83 ALDH1A1 (0.38)
SCHEMBL18265351 0.82 EED (0.49) EEDCPN1CPB2F2F10
SCHEMBL15369593 0.81 F2 (0.34) EEDF2
SCHEMBL5968968 0.80 EED (0.47) EEDCPN1CPB2F2F10
SCHEMBL9060473 0.80 EED (0.47) EEDCPN1CPB2F2
SCHEMBL8578826 0.80 EED (0.47) EEDCPN1CPB2F2
SCHEMBL8581022 0.80 EED (0.47) EEDCPN1CPB2F2
SCHEMBL8575870 0.80 EED (0.47) EEDCPN1CPB2F2
Hydrochloric Acid SCHEMBL7291174 0.79 EED (0.46) EEDCPN1CPB2F2F10

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-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed