SCHEMBL7490219

SCHEMBL7490219

CCn1c(CC[C@@H]2CCCN2C(=O)[C@H]2CCCN2CC(=O)OC)cc2cc(C#N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.35
▸ HRH3 Q9Y5N1 5/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ BRD1 O95696 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ BRPF3 Q9ULD4 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL7490226 1.00 SLC6A4 (0.35) SLC6A4HRH3SCN7AKCNH2CNR1
SCHEMBL7485264 0.94 HRH3 (0.36) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7485271 0.94 HRH3 (0.36) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7958242 0.93 SLC6A4 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7495707 0.93 SLC6A4 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7489272 0.92 SLC6A4 (0.38) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7485497 0.87 HRH3 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7485506 0.87 HRH3 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7493801 0.87 HRH3 (0.35) SLC6A4HRH3SCN7AKCNH2HCRTR1
SCHEMBL7487889 0.86 HRH3 (0.38) SLC6A4HRH3SCN7AKCNH2HCRTR1

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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