SCHEMBL10416166

SCHEMBL10416166

CN1CCN(c2nn(C)c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
HRH4 Q9H3N8 4/20 0.51
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 SCHEMBL9778455 0.98 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31326570 0.86 HPGD (0.56) DDB1CRBNALDH1A1KDM4EMEN1
SCHEMBL30643702 0.83 DDB1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2710143 0.83 DDB1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6125292 0.81 KHK (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9854851 0.81 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9682152 0.80 KHK (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9778330 0.80 HTR6 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15345101 0.79 HRH4 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15345084 0.79 HRH4 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 US claimed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed