SCHEMBL8043604

SCHEMBL8043604

COc1ccccc1[C@@H]1CCNC1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.81
HTR2A P28223 2/20 0.56
HTR1A P08908 3/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53
HTR7 P34969 1/20 0.53
HTR2B P41595 1/20 0.53
HTR3A P46098 1/20 0.53
HTR5A P47898 1/20 0.53
HTR6 P50406 1/20 0.53

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
SCHEMBL21409014 1.00 HTR2C (0.81) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL1813749 1.00 HTR2C (0.81) HTR2CHTR2AHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL568047 0.98 HTR2C (0.81) HTR2CHTR2AHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8045704 0.98 HTR2C (0.81) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL30952441 0.90 HTR2C (0.66) HTR2CHTR2AHTR1AHTR1DHTR1E
SCHEMBL2145214 0.90 HTR2C (0.66) HTR2CHTR2AHTR1AHTR1DHTR1E
SCHEMBL30952439 0.90 HTR2C (0.66) HTR2CHTR2AHTR1AHTR1DHTR1E
SCHEMBL21359054 0.90 HTR2C (0.66) HTR2CHTR2AHTR1AHTR1DHTR1E
SCHEMBL27995550 0.90 HTR2C (0.66) HTR2CHTR2AHTR1AHTR1DHTR1E
SCHEMBL29891667 0.89 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
WO-1999057122-A1 3-PHENYLPYRROLE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed