SCHEMBL7490741

SCHEMBL7490741

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 3/20 0.33
▸ SLC6A4 P31645 2/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ CCR9 P51686 2/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ SCN7A Q01118 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ USP14 P54578 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
SCHEMBL7490748 1.00 KDM2B (0.33) KDM2BSLC6A4TACR1CCR9HRH3
SCHEMBL7487044 0.91 SLC6A4 (0.33) KDM2BSLC6A4CCR9HRH3CYP11B1
SCHEMBL7487037 0.91 SLC6A4 (0.33) KDM2BSLC6A4CCR9HRH3CYP11B1
SCHEMBL7494767 0.90 KDM2B (0.35) KDM2BSLC6A4CCR9HRH3USP30
SCHEMBL7494760 0.90 KDM2B (0.35) KDM2BSLC6A4CCR9HRH3USP30
SCHEMBL7491090 0.88 HRH3 (0.36) KDM2BSLC6A4CCR9HRH3SCN7A
SCHEMBL7487436 0.87 SCN7A (0.35) KDM2BSLC6A4CCR9HRH3SCN7A
SCHEMBL7489148 0.87 USP14 (0.33) KDM2BSLC6A4HRH3CYP11B1CYP11B2
SCHEMBL7489152 0.87 USP14 (0.33) KDM2BSLC6A4HRH3CYP11B1CYP11B2
SCHEMBL7489157 0.87 USP14 (0.33) KDM2BSLC6A4HRH3CYP11B1CYP11B2

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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