SCHEMBL7419906

SCHEMBL7419906

CC(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.64
HTR2A P28223 4/20 0.60
CHRM1 P11229 1/20 0.59
MCHR1 Q99705 1/20 0.59
HRH3 Q9Y5N1 2/20 0.56
POLB P06746 1/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
DRD5 P21918 1/20 0.54
DRD3 P35462 1/20 0.54
SSTR4 P31391 1/20 0.54
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL9478399 0.95 LTA4H (0.61) LTA4HHTR2ACHRM1MCHR1HRH3
SCHEMBL28285423 0.88 SIGMAR1 (0.64) LTA4HHRH3POLB
SCHEMBL7819491 0.83 HRH3 (0.62) HTR2AHRH3HTR1ADRD2DRD1
SCHEMBL3602514 0.82 LTA4H (0.60) LTA4HHTR1ADRD2SSTR4
Hydrochloric Acid SCHEMBL8042992 0.82 HRH3 (0.60) HTR2AHRH3HTR1ADRD2DRD1
SCHEMBL9809250 0.82 HRH1 (0.59) HTR2AHRH3HTR1ADRD2DRD1
SCHEMBL30437095 0.81 LTA4H (0.56) LTA4HHTR2ACHRM1MCHR1HRH3
SCHEMBL19692604 0.81 LTA4H (0.56) LTA4HHTR2ACHRM1MCHR1HRH3
SCHEMBL7265514 0.81 LTA4H (0.82) LTA4HHTR2AMCHR1POLBHTR1A
Hydrochloric Acid SCHEMBL9809406 0.81 HRH1 (0.58) HTR2AHRH3HTR1ADRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117882-A 5-HT4 agonists and antagonists ELI LILLY AND COMPANY (US) 2000-09-12 US disclosed
US-6069152-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
US-5959121-A Process for preparing 3-substituted indazoles ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
US-5914405-A Process for preparing 3-substituted indazoles ELI LILLY AND COMPANY (US) 1999-06-22 US disclosed
WO-1999017772-A1 5HT4 AGONISTS AND ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-04-15 WO disclosed
WO-1999018080-A1 PROCESS FOR PREPARING 3-SUBSTITUTED INDAZOLES ELI LILLY AND COMPANY (US) 1999-04-15 WO disclosed
EP-0908459-A1 5-HT4 Agonists and antagonists ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0908452-A2 Process for preparing 3-substituted indazoles ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed