SCHEMBL9259496

SCHEMBL9259496

CCCCCCCNCc1ccc(CNCCCCCCC)cc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.84
HRH3 Q9Y5N1 1/20 0.84
LMNA P02545 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.78
CYP1A2 P05177 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C19 P33261 2/20 0.75
CHRM2 P08172 5/20 0.67
S1PR1 P21453 6/20 0.62
S1PR3 Q99500 6/20 0.62
S1PR2 O95136 5/20 0.62
S1PR4 O95977 3/20 0.62
MAOA P21397 1/20 0.61
LPAR2 Q9HBW0 2/20 0.58
S1PR5 Q9H228 1/20 0.58

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
SCHEMBL9637156 1.00 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10748421 1.00 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10747074 1.00 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL5936699 0.94 HRH4 (0.96) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21361201 0.94 HRH4 (0.75) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL25018783 0.94 HRH4 (0.75) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9784433 0.92 HRH4 (0.72) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL14288543 0.92 CHRM2 (0.81) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL19217017 0.92 S1PR1 (0.73) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL18485193 0.92 CHRM2 (0.81) HRH4HRH3LMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384425-A Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-01-24 US disclosed
EP-0325397-B1 DIUREA DERIVATIVES USEFUL AS MEDICAMENTS AND PROCESSES FOR THE PREPARATION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed
US-5227492-A Anticholesterol agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5166429-A Enzyme inhibitors of acylcoenzyme A cholesterol transferase as anticholesterol agents or antideposit agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5091419-A Anticholesterol agent YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-25 US disclosed
EP-0325397-A1 Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-07-26 EP disclosed