SCHEMBL8387461

SCHEMBL8387461

CN(C)Cc1ccccc1OCCN(C)Cc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.57
SLC6A4 P31645 6/20 0.57
SLC6A3 Q01959 5/20 0.57
CARM1 Q86X55 6/20 0.52
HRH3 Q9Y5N1 1/20 0.52
PRMT1 Q99873 5/20 0.48
HTR2A P28223 2/20 0.48
KCNH2 Q12809 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
PYCR1 P32322 1/20 0.48
CHRM2 P08172 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL3894485 0.84 HTR7 (0.59) SLC6A2SLC6A4SLC6A3CARM1PRMT1
SCHEMBL8387614 0.83 CARM1 (0.58) SLC6A2SLC6A4SLC6A3CARM1PRMT1
SCHEMBL8391031 0.82 HTR1D (0.63) SLC6A2SLC6A4DRD2DRD1DRD4
SCHEMBL8387692 0.82 CHRM2 (0.52) SLC6A2SLC6A4SLC6A3CARM1CHRM2
Hydrochloric Acid SCHEMBL8704830 0.81 HTR1D (0.62) SLC6A2SLC6A4DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL8699695 0.80 DRD2 (0.66) SLC6A2SLC6A4SLC6A3HTR2ADRD2
SCHEMBL8388817 0.78 CARM1 (0.43) SLC6A2SLC6A4SLC6A3CARM1HRH3
SCHEMBL11260050 0.78 TAAR1 (0.62) HRH3KCNH2DRD2DRD1DRD4
SCHEMBL30589200 0.78 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3HRH3HTR2A
SCHEMBL8680742 0.78 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3HRH3HTR2A

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
EP-0750607-B1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1999-05-06 EP claimed
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed