SCHEMBL9206705

SCHEMBL9206705

COc1ccc(OCCCN2CCCC(CN3CCc4cc(C)c(C)cc4C3=O)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 5/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL9214027 0.99 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
Hydrochloric Acid SCHEMBL9206461 0.96 HRH3 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3POLB
Hydrochloric Acid SCHEMBL9208133 0.94 TDP1 (0.44) HRH3TDP1
SCHEMBL9206439 0.91 ABCB1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3POLB
Hydrochloric Acid SCHEMBL9213140 0.90 ABCB1 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3POLB
Hydrochloric Acid SCHEMBL9206636 0.88 ABCB1 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL9216836 0.85 ABCB1 (0.51) TDP1
Hydrochloric Acid SCHEMBL9207471 0.85 DRD2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3POLB
Hydrochloric Acid SCHEMBL9215591 0.85 ABCB1 (0.50) TDP1
SCHEMBL9739808 0.84 HRH3 (0.41) HRH3

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 7 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 claimed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP claimed
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
EP-0330052-B1 Use of benzimidazoles for preparing a medicine with an anti-ischemial activity on the heart, and combinations with betablockers or bradycardics THOMAE GMBH DR K (DE) 1993-12-15 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0330052-A2 Use of benzimidazoles for preparing a medicine with an anti-ischemial activity on the heart, and combinations with betablockers or bradycardics Dr. Karl Thomae GmbH (DE) 1989-08-30 EP 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