SCHEMBL9214809

SCHEMBL9214809

Cc1cc2c(cc1C)CC(=O)N(CC1CCCN(CCCCc3cc4ccccc4o3)C1)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.39
DRD2 P14416 9/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 2/20 0.39
DRD5 P21918 1/20 0.39
HTR2B P41595 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
PDE2A O00408 1/20 0.35
HTR7 P34969 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAOB P27338 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9206641 0.99 MAPK1 (0.41) MAPK1LMNADRD2DRD3DRD1
SCHEMBL9215152 0.94 MAPK1 (0.44) MAPK1LMNADRD2HTR2BSMN1; SMN2
SCHEMBL9213117 0.92 MAPK1 (0.42) MAPK1LMNADRD2DRD3DRD1
SCHEMBL9210043 0.91 DRD2 (0.44) MAPK1LMNADRD2DRD3HTR2B
SCHEMBL9210258 0.91 DRD2 (0.44) MAPK1LMNADRD2DRD3HTR2B
SCHEMBL9208812 0.91 DRD2 (0.38) MAPK1LMNADRD2DRD3DRD1
SCHEMBL9209357 0.90 DRD2 (0.37) MAPK1LMNADRD2DRD3DRD1
SCHEMBL9207136 0.89 HTR2B (0.39) MAPK1LMNADRD2HTR2BSMN1; SMN2
SCHEMBL9207394 0.85 HCRTR1 (0.44) MAPK1LMNADRD2HTR2BSMN1; SMN2
SCHEMBL9217026 0.85 MAPK1 (0.40) MAPK1LMNADRD2HTR2BSMN1; SMN2

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