SCHEMBL7485759

SCHEMBL7485759

CCC(C)N1CCC(c2c[nH]c3ccc(NC(=S)Nc4ccccc4OC)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.47
HTR1B P28222 11/20 0.47
HTR1A P08908 3/20 0.46
HTR1F P30939 2/20 0.46
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL8552327 0.83 MRGPRX1 (0.42) GAAALOX12
SCHEMBL7490145 0.83 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8722085 0.83 HTR1A (0.51) HTR1DHTR1BHTR1AHTR1FMEN1
SCHEMBL7489507 0.81 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383598 0.81 SLC6A4 (0.47) HTR1DHTR1BHTR1AHTR1FMEN1
SCHEMBL7480624 0.80 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1FMEN1
SCHEMBL7481219 0.80 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7480346 0.79 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7481581 0.79 HTR1D (0.61) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8720715 0.78 HTR1D (0.43) HTR1DHTR1BHTR1AHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
EP-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 EP disclosed
EP-0733628-B1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5962474-A ANALGESICS; HEADACHES ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed