SCHEMBL7487436

SCHEMBL7487436

CCn1c(CC[C@H]2CCN2C(=O)[C@H]2CCCN2C(=O)O)cc2ccc(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CCR9 P51686 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 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
SCHEMBL7491090 0.97 HRH3 (0.36) SCN7AKCNH2CCR9HRH3SLC6A4
SCHEMBL7488852 0.91 CCR9 (0.39) SCN7AKCNH2CCR9HRH3SLC6A4
SCHEMBL7487889 0.90 HRH3 (0.38) SCN7AKCNH2HRH3SLC6A4ROCK2
SCHEMBL7491433 0.90 HRH3 (0.36) SCN7AKCNH2HRH3SLC6A4ROCK2
SCHEMBL7951419 0.90 HRH3 (0.36) SCN7AKCNH2HRH3SLC6A4ROCK2
SCHEMBL7494760 0.89 KDM2B (0.35) SCN7AKCNH2CCR9HRH3SLC6A4
SCHEMBL7494767 0.89 KDM2B (0.35) SCN7AKCNH2CCR9HRH3SLC6A4
SCHEMBL7491392 0.88 SLC6A4 (0.42) SCN7AKCNH2CCR9HRH3SLC6A4
SCHEMBL7490741 0.87 KDM2B (0.33) SCN7AKCNH2CCR9HRH3SLC6A4
SCHEMBL7490748 0.87 KDM2B (0.33) SCN7AKCNH2CCR9HRH3SLC6A4

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 4 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
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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