SCHEMBL8043231

SCHEMBL8043231

CCOC(=O)CN1CCC(N2CCN(c3ccc(C#N)cc3)C(=O)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
CYP2D6 P10635 2/20 0.43
KCNH2 Q12809 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
USP14 P54578 8/20 0.41
USP5 P45974 1/20 0.41
USP7 Q93009 1/20 0.41
HRH1 P35367 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL8052277 0.90 HRH3 (0.44) HRH3CYP2D6KCNH2USP14USP5
SCHEMBL8686413 0.87 MEN1 (0.43) HRH3CYP2D6MEN1RAB9AKMT2A
SCHEMBL8044020 0.83 ITGB3 (0.55) HRH3MEN1RAB9AKMT2A
SCHEMBL8688203 0.83 USP14 (0.44) MEN1RAB9AKMT2AUSP14USP5
Hydrochloric Acid SCHEMBL8034450 0.83 ALOX15 (0.56) HRH3MEN1RAB9AKMT2A
SCHEMBL8686692 0.82 USP14 (0.41) MEN1RAB9AKMT2AUSP14USP5
SCHEMBL8044034 0.82 ITGB3 (0.42) HRH3KCNH2MEN1RAB9AKMT2A
SCHEMBL8043652 0.81 ITGB3 (0.41) HRH3KCNH2MEN1RAB9AKMT2A
SCHEMBL8043708 0.81 ITGB3 (0.41) HRH3KCNH2MEN1RAB9AKMT2A
SCHEMBL7273978 0.74 KMT2A (0.48) HRH3MEN1RAB9AKMT2AUSP14

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
US-6057324-A HAVE GPIIB/IIIA RECEPTOR ANTAGONIZING ACTIVITY AND ARE USEFUL FOR AMELIORATING ISCHEMIC CARDIAC DISORDERS, FOR AMELIORATING CEREBROVASCULAR DISORDERS, AND FOR AMELIORATING PERIPHERAL ARTERY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2000-05-02 US disclosed
EP-0905129-A1 SUBSTITUTED AMIDINOBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-03-31 EP disclosed
US-5773442-A EXHIBIT GPIIB/IIIA RECEPTOR ANTAGONISTIC ACTIVITY; USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF VASCULAR SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0810215-A1 NOVEL BENZAMIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-03 EP disclosed