SCHEMBL9215938

SCHEMBL9215938

c1ccc2cc(CCN3CCCC(CN4CCc5cc6c(cc5C4)OCO6)C3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
MCHR1 Q99705 1/20 0.42
SLC6A4 P31645 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ABCB1 P08183 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.37
CCR2 P41597 1/20 0.37
LSS P48449 1/20 0.37

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
SCHEMBL9211431 0.96 HRH3 (0.47) HRH3MCHR1SLC6A4SIGMAR1MEN1
SCHEMBL9211025 0.88 HRH3 (0.49) HRH3SLC6A4SIGMAR1MEN1KMT2A
SCHEMBL9207036 0.84 HRH3 (0.50) HRH3SLC6A4SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9216853 0.83 DHCR7 (0.52) SIGMAR1MEN1KMT2AABCB1ABCG2
SCHEMBL9213630 0.83 ABCB1 (0.53) HRH3ABCB1ABCG2
Hydrochloric Acid SCHEMBL9216849 0.83 HRH3 (0.42) HRH3MCHR1SLC6A4SIGMAR1LMNA
SCHEMBL9214620 0.82 ABCB1 (0.52) HRH3ABCB1ABCG2
Hydrochloric Acid SCHEMBL9216030 0.81 HRH3 (0.42) HRH3SIGMAR1MEN1KMT2ACCR2
SCHEMBL9208130 0.81 HRH3 (0.44) HRH3MCHR1SLC6A4SIGMAR1
Bromide SCHEMBL9215762 0.80 HRH3 (0.43) HRH3MCHR1SLC6A4SIGMAR1

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