SCHEMBL6165439

SCHEMBL6165439

[NH]CCc1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
HRH3 Q9Y5N1 3/20 0.56
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CHRNA7 P36544 2/20 0.49
IDO1 P14902 1/20 0.48
AHR P35869 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
AOC3 Q16853 1/20 0.45

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
SCHEMBL7169246 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL31059889 0.87 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL28335219 0.85 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL3663173 0.84 LOXL2 (0.60) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL1854449 0.83 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BIDO1
SCHEMBL6860219 0.83 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL29403791 0.83 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL28338445 0.83 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL401081 0.83 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL2261199 0.80 LOXL2 (0.60) LOXL2HRH3MTNR1AMTNR1BCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939632-B1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS LILLY CO ELI (US) 2005-10-05 EP disclosed
US-6610680-B1 Administering as adjuncts in heart failure or as antithrombotic agents, treatment of obsessive-compulsive disorder, aggressive disorders, depression and anxiety ELI LILLY AND COMPANY 2003-08-26 US disclosed
US-6521611-B2 2-(azetidin-2-on-1-yl) acetic acid derivatives; treatment of obsessive-compulsive disorder ELI LILLY AND COMPANY 2003-02-18 US disclosed
EP-0939632-A4 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS LILLY CO ELI (US) 2002-09-25 EP disclosed
US-6340681-B1 USEFUL AS ANALGESICS IN MAMMALS PFIZER INC 2002-01-22 US disclosed
US-6204260-B1 2-(AZETIDIN-2-ON-1-YL)ACETIC ACID DERIVATIVES ELI LILLY AND COMPANY 2001-03-20 US disclosed
EP-0939632-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-09-08 EP disclosed
WO-1997030707-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-28 WO disclosed
US-4104371-A Psychopharmacologically active peptides and peptide-derivatives, and the use thereof AKZONA INCORPORATED (US) 1978-08-01 US disclosed