SCHEMBL8158561

SCHEMBL8158561

CN(C)C[C@H]1Cc2ccccc2[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.54
SLC6A4 P31645 5/20 0.54
HTR2A P28223 7/20 0.50
HRH1 P35367 7/20 0.50
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A3 Q01959 3/20 0.43
METAP1 P53582 2/20 0.41
HTR2C P28335 5/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8152267 1.00 SLC6A2 (0.54) SLC6A2SLC6A4HTR2AHRH1ALDH1A1
SCHEMBL8152263 1.00 SLC6A2 (0.54) SLC6A2SLC6A4HTR2AHRH1ALDH1A1
SCHEMBL12362873 1.00 SLC6A2 (0.54) SLC6A2SLC6A4HTR2AHRH1ALDH1A1
SCHEMBL8152258 1.00 SLC6A2 (0.54) SLC6A2SLC6A4HTR2AHRH1ALDH1A1
SCHEMBL8151548 0.83 HTR2A (0.47) SLC6A2SLC6A4HTR2AHRH1SLC6A3
SCHEMBL6268863 0.83 HTR2A (0.53) SLC6A2SLC6A4HTR2AHRH1HTR2C
SCHEMBL9334169 0.83 HTR2A (0.53) SLC6A2SLC6A4HTR2AHRH1HTR2C
SCHEMBL8151546 0.83 HTR2A (0.47) SLC6A2SLC6A4HTR2AHRH1SLC6A3
SCHEMBL8159949 0.83 HTR2A (0.53) SLC6A2SLC6A4HTR2AHRH1HTR2C
SCHEMBL8159528 0.83 HTR2A (0.47) SLC6A2SLC6A4HTR2AHRH1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136803-A CYCLOALKYL ETHER INDANAMINE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 2000-10-24 US disclosed
JP-2000119326-A CATALYST COMPOSITION BASED ON IRON AND PRODUCTION OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP 2000-04-25 JP disclosed
US-5561152-A 1-PHENOXY-2-(AMINOMETHYL)INDAN DERIVATIVES; ADRENERGIC BLOCKING AGENT; INHIBITORS OF BOTH NOREPINEPHRINE AND SEROTONIN UPTAKE MERRELL PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
EP-0303961-B1 Novel antidepressants MERRELL DOW PHARMA (US) 1994-04-13 EP disclosed
EP-0371508-B1 PHENOXY AND PHENYLTHIO, AMINO SUBSTITUTED BENZOCYCLOALKANE DERIVATIVES IN THE TREATMENT AND PREVENTION OF DRUG-RESISTANT PROTOZOAL INFECTIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-07-14 EP disclosed
US-5149714-A Antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-22 US disclosed
US-5134168-A PHENOXY AND PHENYLTHIO, AMINO SUBSTITUTED BENZOCYCLOALKANE DERIVATIVES IN THE TREATMENT AND PREVENTION OF DRUG-RESISTANT PROTOZOAL INFECTIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
EP-0371508-A1 Phenoxy and phenylthio, amino substituted benzocycloalkane derivatives in the treatment and prevention of drug-resistant protozoal infections MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP disclosed
EP-0303961-A2 Novel antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1989-02-22 EP disclosed