SCHEMBL11380832

SCHEMBL11380832

CN1CCN(c2nc(-c3ccccc3)c3ccccc3c2CO)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.53
KMT2A Q03164 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 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
SCHEMBL4735759 0.82 HRH4 (0.57) HRH4HTR3AMAPT
SCHEMBL11358141 0.76 HRH4 (0.53) HRH4KMT2AHTR3EHTR3BHTR3A
SCHEMBL11343826 0.76 NPSR1 (0.69) HRH4KMT2AHTR3EHTR3BHTR3A
SCHEMBL11341558 0.76 HRH4 (0.50) HRH4KMT2AHTR3EHTR3BHTR3A
SCHEMBL11343044 0.76 DRD2 (0.55) KMT2AMAPTKDM4EHTT
SCHEMBL4785362 0.74 HRH4 (0.55) HRH4HTR3A
SCHEMBL11382668 0.73 HRH4 (0.45) HRH4KMT2AMAPTKDM4EALDH1A1
SCHEMBL11349340 0.73 HRH4 (0.49) HRH4KMT2AHTR3EHTR3BHTR3A
SCHEMBL11383726 0.72 NPSR1 (0.50) HRH4KMT2AHTR3EHTR3BHTR3A
SCHEMBL20109603 0.71 KMT2A (0.71) HRH4KMT2AMAPTALDH1A1HTT

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-4282223-A ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed