SCHEMBL7494767

SCHEMBL7494767

CCn1c(CCC2CC(C)CN2C(=O)[C@H]2CCCN2C(=O)O)cc2ccc(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 6/20 0.35
▸ CCR9 P51686 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ SCN7A Q01118 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL7494760 1.00 KDM2B (0.35) KDM2BCCR9ALDH1A1HRH3USP30
SCHEMBL7491090 0.90 HRH3 (0.36) KDM2BCCR9HRH3SCN7AKCNH2
SCHEMBL7490748 0.90 KDM2B (0.33) KDM2BCCR9HRH3USP30SCN7A
SCHEMBL7490741 0.90 KDM2B (0.33) KDM2BCCR9HRH3USP30SCN7A
SCHEMBL7487436 0.89 SCN7A (0.35) KDM2BCCR9ALDH1A1HRH3SCN7A
SCHEMBL7485835 0.89 ALDH1A1 (0.38) KDM2BCCR9ALDH1A1SCN7AKCNH2
SCHEMBL7485833 0.89 ALDH1A1 (0.38) KDM2BCCR9ALDH1A1SCN7AKCNH2
SCHEMBL7487473 0.84 DPP4 (0.35) KDM2BCCR9ALDH1A1SLC6A4
SCHEMBL7951419 0.83 HRH3 (0.36) KDM2BALDH1A1HRH3SCN7AKCNH2
SCHEMBL7487889 0.83 HRH3 (0.38) KDM2BHRH3SCN7AKCNH2ROCK2

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
Send feedback