SCHEMBL6201723

SCHEMBL6201723

O=C1CN(c2ccccc2)CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALOX5 P09917 3/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL25907624 0.80 ALOX5 (0.52) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL13934667 0.80 MEN1 (0.47) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL15055212 0.80 HTR3E (0.53) PTPN1HTR3EHTR3BADRB1HTR3A
SCHEMBL16701654 0.80 DDB1 (0.44) ALOX15ALOX12MAPTGAAKDM4E
SCHEMBL11841356 0.77 HTR3E (0.46) PTPN1HTR3EHTR3BADRB1HTR3A
SCHEMBL5363025 0.76 SIRT6 (0.56) ADRB1MAPTGAATDP1CRBN
SCHEMBL16108430 0.76 MAPT (0.51) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL13934668 0.75 ALDH1A1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17925894 0.71 ALDH1A1 (0.44) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL21777356 0.70 NPC1 (0.50) PTPN1HTR3EHTR3BADRB1HTR3A

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
EP-3558305-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-10-30 EP claimed
WO-2018118829-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO claimed
WO-2025224179-A1 GLUTAMINYL CYCLASE INHBITORS FOR USE IN THE TREATMENT OF KIDNEY DISEASE VIVORYON THERAPEUTICS N.V. (DE) 2025-10-30 WO disclosed
US-7384957-B2 3,4-dihydro-1H-isoquinolin-2-yl-derivatives H. LUNDBECK A/S (DK) 2008-06-10 US disclosed
WO-2007003965-A1 SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2007-01-11 WO disclosed
EP-1048658-B1 ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES SANKYO CO (JP) 2005-06-15 EP disclosed
CN-1121398-C Alicyclic acylated heterocyclic derivatives SANKYO CO (JP) 2003-09-17 CN disclosed
US-6288059-B1 ANTIASTHMATIC, ANTIALLERGEN AGENTS; URINARY INCONTINENCE; NATURAL KILLER CELL RECEPTOR AND TACHYKININ ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 2001-09-11 US disclosed
CN-1284070-A Alicyclic acylated heterocyclic derivatives SANKYO CO (JP) 2001-02-14 CN disclosed
EP-1048658-A1 ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES Sankyo Company Limited (JP) 2000-11-02 EP disclosed