SCHEMBL6400226

SCHEMBL6400226

C1=Cc2ccc(N3CCNCC3)nc2Sc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.48
HTR3B O95264 4/20 0.48
HTR3A P46098 4/20 0.48
HTR3D Q70Z44 4/20 0.48
HTR3C Q8WXA8 4/20 0.48
ADRB1 P08588 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.48
HTR2C P28335 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 2/20 0.48
USP2 O75604 1/20 0.48
HTR1A P08908 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTT P42858 1/20 0.48
HTR6 P50406 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL6001880 0.69 DRD2 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
Quipazine SCHEMBL322181 0.65 KDM4E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Quipazine SCHEMBL4062074 0.64 KDM4E (0.97) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5001473 0.63 DRD2 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6242154 0.62 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3836811 0.62 DRD2 (0.45) ALDH1A1KDM4EHTR2CHSD17B10SLC6A4
SCHEMBL4742301 0.62 TRPA1 (0.50) ALDH1A1KDM4ECYP3A4HTR2CHSD17B10
SCHEMBL1479055 0.61 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3227424 0.61 KDM4E (0.88) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30146590 0.60 HTR3E (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890919-B2 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ (CA) 2005-05-10 US disclosed