SCHEMBL7273067

SCHEMBL7273067

Cc1cc(C)c([C@@H]2C[C@H]3CC[C@@H](C2)N3C)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.45
HTR3B O95264 5/20 0.45
HTR3A P46098 5/20 0.45
HTR3D Q70Z44 5/20 0.45
HTR3C Q8WXA8 5/20 0.45
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1I2 O75469 1/20 0.45
KDM4E B2RXH2 1/20 0.41
NOTUM Q6P988 1/20 0.41
CHRNA7 P36544 1/20 0.37
HSD17B10 Q99714 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
GMNN O75496 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL7267112 1.00 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL7324702 0.83 KDM4E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7302348 0.78 KDM4E (0.42) MEN1KMT2AKDM4ENOTUMCHRNA7
SCHEMBL9871559 0.76 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9472450 0.76 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7265701 0.76 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6139012 0.76 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7301445 0.75 KDM4E (0.45) CYP2D6MEN1KMT2AKDM4ENOTUM
Hydrochloric Acid SCHEMBL7301304 0.74 KDM4E (0.44) CYP2D6MEN1KMT2AKDM4ENOTUM
SCHEMBL7973793 0.71 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221878-B1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE (5-HT) AT 5-HT3 RECEPTORS GLAXO GROUP LIMITED (GB) 2001-04-24 US claimed
US-5411968-A 5-hydroxytryptamine antagonists GLAXO GROUP LIMITED (GB) 1995-05-02 US claimed
EP-0278173-B1 Use of heterocyclic derivatives in the treatment of depressions GLAXO GROUP LTD (GB) 1993-11-03 EP claimed
EP-0229444-A2 Medicaments for the treatment of anxiety GLAXO GROUP LIMITED (GB) 1987-07-22 EP claimed
EP-0229444-B1 Medicaments for the treatment of anxiety GLAXO GROUP LTD (GB) 1997-09-17 EP disclosed
US-5198447-A Aid for withdrawal from drugs, alcohol, cigarettes GLAXO GROUP LIMITED (GB) 1993-03-30 US disclosed
US-4883803-A TROPANYL-INDOLE ESTERS GLAXO GROUP LIMITED (GB) 1989-11-28 US disclosed