SCHEMBL9216697

SCHEMBL9216697

COc1cc2c(cc1OC)CN(CC1CCCNC1)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.44
HTR2A P28223 9/20 0.43
HTR2C P28335 7/20 0.43
HTR2B P41595 2/20 0.42
EHMT2 Q96KQ7 2/20 0.41
ACHE P22303 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL9207494 0.79 PARP1 (0.48) EEDHTR2AHTR2CHTR2BEHMT2
SCHEMBL9216049 0.74 MEN1 (0.48) HTR2AHTR2CHTR2BACHE
SCHEMBL9212186 0.74 SMN1; SMN2 (0.48) EEDHTR2AHTR2CHTR2BEHMT2
SCHEMBL4813403 0.74 ABCB1 (0.52) ACHEABCB1
SCHEMBL31134797 0.73 ABCB1 (0.55) ACHEABCB1
Hydrochloric Acid SCHEMBL1625012 0.73 ABCB1 (0.51) ACHEABCB1
SCHEMBL3721098 0.72 SMN1; SMN2 (0.57) ABCB1
SCHEMBL1777570 0.72 DRD2 (0.55) HTR2AHTR2C
SCHEMBL9208378 0.71 MEN1 (0.47) HTR2AHTR2CHTR2BACHE
SCHEMBL9204902 0.71 SMN1; SMN2 (0.47) HTR2CHTR2BEHMT2ACHE

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