SCHEMBL7491090

SCHEMBL7491090

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.36
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ CCR9 P51686 2/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ PREP P48147 1/20 0.33

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
SCHEMBL7487436 0.97 SCN7A (0.35) HRH3SCN7AKCNH2SLC6A4CCR9
SCHEMBL7951419 0.93 HRH3 (0.36) HRH3SCN7AKCNH2SLC6A4HCRTR1
SCHEMBL7491433 0.93 HRH3 (0.36) HRH3SCN7AKCNH2SLC6A4HCRTR1
SCHEMBL7487889 0.93 HRH3 (0.38) HRH3SCN7AKCNH2SLC6A4HCRTR1
SCHEMBL7491392 0.91 SLC6A4 (0.42) HRH3SCN7AKCNH2SLC6A4CCR9
SCHEMBL7494760 0.90 KDM2B (0.35) HRH3SCN7AKCNH2SLC6A4CCR9
SCHEMBL7494767 0.90 KDM2B (0.35) HRH3SCN7AKCNH2SLC6A4CCR9
SCHEMBL7488143 0.89 DPP4 (0.38) HRH3SCN7AKCNH2SLC6A4HCRTR1
SCHEMBL7492713 0.89 DPP4 (0.37) HRH3SCN7AKCNH2SLC6A4CCR9
SCHEMBL7488134 0.89 DPP4 (0.38) HRH3SCN7AKCNH2SLC6A4HCRTR1

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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