SCHEMBL8892862

SCHEMBL8892862

Nc1ccc2[nH]cc(CCNC(=O)O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
CYP2C19 P33261 1/20 0.68
MTNR1A P48039 7/20 0.60
MTNR1B P49286 6/20 0.60
NOTUM Q6P988 4/20 0.59
LTA4H P09960 3/20 0.58
PLA2G2A P14555 3/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
SPR P35270 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
BLM P54132 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
IDO1 P14902 1/20 0.56
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTR7 P34969 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
SCHEMBL27693665 0.89 CYP2C19 (0.53) HPGDCYP2C19MTNR1AMTNR1BNOTUM
SCHEMBL6763965 0.88 MTNR1A (0.74) HPGDCYP2C19MTNR1AMTNR1BNOTUM
SCHEMBL5350957 0.86 KMT2A (0.73) HPGDCYP2C19POLBMEN1RAB9A
SCHEMBL1960963 0.84 SPR (0.78) HPGDNOTUMKDM4EALDH1A1MAPT
SCHEMBL11351947 0.84 HTR7 (0.69) HPGDMTNR1AMTNR1BNOTUMLTA4H
SCHEMBL10550760 0.84 LTA4H (0.59) HPGDMTNR1AMTNR1BNOTUMLTA4H
SCHEMBL11080741 0.83 MTNR1A (0.78) HPGDMTNR1AMTNR1BNOTUMLTA4H
SCHEMBL20242784 0.83 NOTUM (0.78) MTNR1AMTNR1BNOTUMLTA4HPLA2G2A
SCHEMBL12720741 0.82 SPR (0.75) HPGDCYP2C19MTNR1AMTNR1BNOTUM
SCHEMBL11353910 0.82 HTR1A (0.79) CYP2C19MTNR1AMTNR1BNOTUMLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed