SCHEMBL9217121

SCHEMBL9217121

COc1ccc(OCCCN2CCCCC(CCl)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
KCNH2 Q12809 2/20 0.52
LTA4H P09960 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49

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
SCHEMBL9206438 0.88 HRH3 (0.64) HRH3
SCHEMBL9278988 0.87 HRH3 (0.48) HRH3KCNH2
SCHEMBL9205104 0.84 HRH3 (0.65) HRH3
SCHEMBL9215679 0.81 KDM4E (0.67) HRH3
SCHEMBL10648187 0.80 DPP4 (0.44) HRH3POLBMAPTCHRNB2CHRNB4
SCHEMBL9212860 0.79 HRH3 (0.57) HRH3POLBMAPTKCNH2
SCHEMBL8691213 0.76 LTA4H (0.55) HRH3LTA4H
SCHEMBL4099964 0.76 HRH3 (0.84) HRH3POLBMAPTKCNH2
Hydrochloric Acid SCHEMBL8690326 0.75 LTA4H (0.54) HRH3LTA4H
SCHEMBL9739552 0.75 CHRNB2 (0.57) HRH3POLBMAPTKCNH2CHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed