SCHEMBL9382129

SCHEMBL9382129

Clc1ccc(OCCCCN2CCN(c3nc4ccccc4s3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.58
HTR2A P28223 7/20 0.58
DRD3 P35462 6/20 0.58
HTR1A P08908 6/20 0.58
SLC6A4 P31645 6/20 0.58
HTR7 P34969 5/20 0.58
HTR2C P28335 3/20 0.58
DRD1 P21728 2/20 0.58
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ATP4A P20648 2/20 0.55
ATP4B P51164 2/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL31694676 0.80 DRD2 (0.63) DRD2HTR2ADRD3HTR1ASLC6A4
SCHEMBL30964246 0.78 DRD2 (0.57) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7963191 0.78 RAB9A (0.81) DRD2HTR2ADRD3HTR1ASLC6A4
SCHEMBL15941384 0.78 RAB9A (0.67) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL7534676 0.78 RAB9A (0.67) DRD2DRD3HTR1AHTR7RAB9A
SCHEMBL30964251 0.77 DRD2 (0.68) DRD2DRD3DRD4
SCHEMBL31694684 0.77 DRD2 (0.61) DRD2HTR2ADRD3HTR1ASLC6A4
SCHEMBL14144180 0.77 PPARD (0.62) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL23965748 0.77 RAB9A (0.69) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL9589873 0.76 PPARG (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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
EP-0398425-B1 Antirhinoviral piperidinyl, pyrrolidinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA NV (BE) 1994-03-16 EP disclosed