SCHEMBL9854851

SCHEMBL9854851

CCn1nc(N2CCN(C)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
HTR6 P50406 1/20 0.47
HRH4 Q9H3N8 4/20 0.47
RXFP1 Q9HBX9 1/20 0.44

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
Hydrochloric Acid SCHEMBL9778330 0.98 HTR6 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9778483 0.84 HTR6 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9778401 0.83 HRH4 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10416166 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9778455 0.80 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8854884 0.78 DRD2 (0.41)
SCHEMBL6125292 0.76 KHK (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9682152 0.75 KHK (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9288344 0.74 HPGD (0.45)
SCHEMBL10499346 0.74 PARP1 (0.41) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417653-A1 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP claimed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 US claimed