SCHEMBL8935099

SCHEMBL8935099

c1ccc(CCCCN2CCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.96
LTA4H P09960 1/20 0.77
SLC6A3 Q01959 1/20 0.74
CCR3 P51677 2/20 0.73
GRIN2B Q13224 2/20 0.73
HRH3 Q9Y5N1 1/20 0.70
HRH1 P35367 1/20 0.66
MEN1 O00255 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65

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
SCHEMBL7366514 0.98 SIGMAR1 (1.00) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL10601122 0.98 SIGMAR1 (0.96) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL113897 0.98 SIGMAR1 (0.96) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL492561 0.96 SIGMAR1 (1.00) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL8091557 0.96 SIGMAR1 (1.00) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
Hydrochloric Acid SCHEMBL11555128 0.94 SIGMAR1 (0.96) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL28881215 0.94 SIGMAR1 (0.93) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL5302082 0.94 LTA4H (0.86) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL83687 0.92 SIGMAR1 (0.86) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL20382580 0.90 LTA4H (0.86) SIGMAR1LTA4HSLC6A3GRIN2BHRH3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
CN-108024992-A Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders 艾其林医药公司 2018-05-11 CN disclosed
US-5556876-A ANTICHOLESTEROL AGENTS USING DERIVATIVES OF BENZOTHIENYL KETONES ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5552433-A ADMINISTERING SPECIFIED COMPOUND TO A HUMAN ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5521172-A BENZOTHIOPHENE KETONES WITH BENZENE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
US-5482950-A BENZOTHIOPHENE DERIVATIVE ELI LILLY AND COMPANY (US) 1996-01-09 US disclosed
US-5480904-A BENZOTHIOPHENE COMPOUND ELI LILLY AND COMPANY (US) 1996-01-02 US disclosed
US-5441964-A Especially post-memopausal women ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
EP-0657162-A1 Methods for lowering serum cholesterol ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
EP-0651998-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 1995-05-10 EP disclosed
EP-0650724-A1 Methods for inhibiting uterine fibrosis ELI LILLY AND COMPANY (US) 1995-05-03 EP disclosed
EP-0164706-B1 PHENYLALKYL AMINE BIOREGULATORS BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed