SCHEMBL8549443

SCHEMBL8549443

COc1ccc(-c2cc(C3CCN(CCc4cccc5ccccc45)CC3)n[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.55
SLC6A4 P31645 3/20 0.55
SIGMAR1 Q99720 1/20 0.46
MC4R P32245 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL8550715 0.89 HTR1A (0.47) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL8549889 0.89 SLC6A4 (0.44) HTR1ASLC6A4SIGMAR1DRD2DRD4
SCHEMBL8550958 0.85 DRD2 (0.41) HTR1ASLC6A4SIGMAR1DRD2DRD4
SCHEMBL8549271 0.84 DRD2 (0.42) HTR1ASLC6A4SIGMAR1MC4RDRD2
SCHEMBL8547895 0.83 SLC6A4 (0.45) HTR1ASLC6A4SIGMAR1MC4RALDH1A1
SCHEMBL8546423 0.83 SNCA (0.42) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL8549897 0.82 DRD2 (0.52) HTR1ASLC6A4SIGMAR1KDM4EHTT
SCHEMBL8549123 0.82 DRD2 (0.42) HTR1ASLC6A4SIGMAR1MC4RMEN1
SCHEMBL8545434 0.82 DRD2 (0.40) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL8549039 0.82 OPRM1 (0.42) HTR1ASLC6A4SIGMAR1MAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP claimed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP claimed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO claimed
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP disclosed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 WO disclosed