SCHEMBL6162714

SCHEMBL6162714

OC(CCCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.70
SIGMAR1 Q99720 5/20 0.59
DRD2 P14416 4/20 0.59
DRD3 P35462 3/20 0.59
HTR2A P28223 1/20 0.58
HRH1 P35367 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
GAA P10253 1/20 0.57
CYP2C9 P11712 1/20 0.57
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
SLC6A2 P23975 1/20 0.54

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
SCHEMBL6161877 0.82 SLC18A3 (0.55) HTR1ASIGMAR1DRD2DRD3HTR2A
SCHEMBL6167407 0.82 HTR1A (0.67) HTR1ASIGMAR1DRD2DRD3HTR2A
SCHEMBL6162706 0.81 HTR1A (0.79) HTR1ASIGMAR1DRD2DRD3HTR2A
SCHEMBL2883152 0.77 HTR1A (0.79) HTR1AHTR2ASLC6A4SLC6A3SLC6A2
SCHEMBL10635609 0.76 SLC6A4 (0.88) SIGMAR1CYP1A2CYP2C9SLC6A4SLC6A3
Anisopirol SCHEMBL2111067 0.76 HTR1A (0.74) HTR1ASIGMAR1DRD2DRD3
SCHEMBL10485888 0.75 HTR1A (0.64) HTR1ASIGMAR1DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL11077810 0.75 SLC6A4 (0.86) SIGMAR1CYP1A2CYP2C9SLC6A4SLC6A3
SCHEMBL1460235 0.75 KMT2A (0.80) HTR1AKDM4ESLC6A4SLC6A3SLC6A2
SCHEMBL13532634 0.74 DRD2 (1.00) HTR1ASIGMAR1DRD2DRD3HTR2A

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-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed