SCHEMBL9208378

SCHEMBL9208378

COc1cc2c(cc1OC)C(=O)N(CC1CCCCNC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 2/20 0.43
ADRA1B P35368 1/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
MAPK1 P28482 4/20 0.39
HSD17B10 Q99714 4/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL9216770 0.99 MEN1 (0.46) MEN1KMT2AGRM5ADRA1BACHE
SCHEMBL9216049 0.97 MEN1 (0.48) MEN1KMT2AGRM5ADRA1BACHE
SCHEMBL9209711 0.92 MEN1 (0.50) MEN1KMT2AGRM5ADRA1BKDM4E
SCHEMBL31134777 0.87 MEN1 (0.55) MEN1KMT2AGRM5ADRA1BACHE
SCHEMBL9204902 0.87 SMN1; SMN2 (0.47) ACHEALOX15DRD2HTR2CHTR2B
SCHEMBL9204844 0.86 MEN1 (0.49) MEN1KMT2AADRA1BACHEHTR2C
SCHEMBL9207494 0.85 PARP1 (0.48) MEN1KMT2AACHEDRD2HTR2C
SCHEMBL9214240 0.85 GRM5 (0.43) GRM5DRD2HTR2CHTR2AHTR2B
SCHEMBL9207673 0.84 MEN1 (0.47) MEN1KMT2AADRA1BALOX15DRD2
SCHEMBL9212186 0.83 SMN1; SMN2 (0.48) ALOX15DRD2HTR2CHTR2AHTR2B

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