SCHEMBL7487044

SCHEMBL7487044

CCn1c(CC[C@@H]2CCCN2C(=O)C2CC(OC)CN2C(=O)O)cc2ccc(C#N)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.33
▸ KDM2B Q8NHM5 3/20 0.33
▸ HRH3 Q9Y5N1 5/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ SCN7A Q01118 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ CCR9 P51686 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL7487037 1.00 SLC6A4 (0.33) SLC6A4KDM2BHRH3HCRTR1HCRTR2
SCHEMBL7490748 0.91 KDM2B (0.33) SLC6A4KDM2BHRH3SCN7AKCNH2
SCHEMBL7490741 0.91 KDM2B (0.33) SLC6A4KDM2BHRH3SCN7AKCNH2
SCHEMBL7491090 0.88 HRH3 (0.36) SLC6A4KDM2BHRH3HCRTR1HCRTR2
SCHEMBL7487436 0.86 SCN7A (0.35) SLC6A4KDM2BHRH3SCN7AKCNH2
SCHEMBL7491380 0.85 DPP4 (0.40) SLC6A4HRH3KCNH2
SCHEMBL7491397 0.85 DPP4 (0.40) SLC6A4HRH3KCNH2
SCHEMBL7491392 0.84 SLC6A4 (0.42) SLC6A4HRH3HCRTR1HCRTR2SCN7A
SCHEMBL7496188 0.84 DPP4 (0.35) SLC6A4HRH3HCRTR1HCRTR2SCN7A
SCHEMBL7496176 0.84 DPP4 (0.35) SLC6A4HRH3HCRTR1HCRTR2SCN7A

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
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
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