SCHEMBL9217026

SCHEMBL9217026

O=C1Cc2cc3c(cc2CCN1CC1CCCN(CCc2cc4ccccc4o2)C1)OCO3

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
LTA4H P09960 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
HTR2B P41595 2/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOA P21397 1/20 0.36
PDE2A O00408 1/20 0.35
RAB9A P51151 1/20 0.35
DRD2 P14416 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL9207626 0.98 MAPK1 (0.38) MAPK1LTA4HSMN1; SMN2PKMHTR2B
SCHEMBL9215967 0.95 HTR2B (0.38) MAPK1HTR2BALDH1A1DRD2
SCHEMBL9208812 0.94 DRD2 (0.38) MAPK1LTA4HSMN1; SMN2PKMHTR2B
SCHEMBL9209357 0.94 DRD2 (0.37) MAPK1LTA4HSMN1; SMN2PKMHTR2B
SCHEMBL9215152 0.90 MAPK1 (0.44) MAPK1LTA4HSMN1; SMN2PKMHTR2B
SCHEMBL9207394 0.88 HCRTR1 (0.44) MAPK1SMN1; SMN2PKMHTR2BLMNA
SCHEMBL9213117 0.88 MAPK1 (0.42) MAPK1LTA4HSMN1; SMN2PKMHTR2B
SCHEMBL9210489 0.85 HCRTR1 (0.44) MAPK1SMN1; SMN2HTR2BLMNAALDH1A1
SCHEMBL9213547 0.85 LTA4H (0.37) MAPK1LTA4HLMNAALDH1A1PDE2A
SCHEMBL9207136 0.85 HTR2B (0.39) MAPK1SMN1; SMN2HTR2BLMNADRD2

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