SCHEMBL7847827

SCHEMBL7847827

COc1cccc2c1[C@H]1CCN(CCCN)C[C@@H]1CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.44
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
FTO Q9C0B1 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL7847830 1.00 HTR1A (0.44) HTR1ANPC1MTORRAB9ATP53
SCHEMBL7837347 0.97 HTR1A (0.44) HTR1ANPC1MTORRAB9ATP53
SCHEMBL7837349 0.97 HTR1A (0.44) HTR1ANPC1MTORRAB9ATP53
SCHEMBL7835081 0.94 HTR1A (0.42) HTR1ANPC1MTORRAB9ATP53
SCHEMBL7835083 0.94 HTR1A (0.42) HTR1ANPC1MTORRAB9ATP53
SCHEMBL8386702 0.90 HTR1A (0.45) HTR1ANPC1MTORRAB9ATP53
SCHEMBL8384036 0.90 HTR1A (0.45) HTR1ANPC1MTORRAB9ATP53
SCHEMBL7848582 0.87 NPC1 (0.49) HTR1ANPC1MTORRAB9ATP53
SCHEMBL7837410 0.87 NPC1 (0.49) HTR1ANPC1MTORRAB9ATP53
SCHEMBL7848584 0.87 NPC1 (0.49) HTR1ANPC1MTORRAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 EP disclosed
US-6046207-A FOR INHIBITING ALPHA-1 ADRENORECEPTORS AND TREATING BENIGN PROSTATIC HYPERPLASIA, ALSO CALLED BENIGN PROSTATIC HYPERTROPHY, OR OTHER UROLOGICAL OR GYNECOLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER ABBOTT LABORATORIES 2000-04-04 US disclosed
US-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 US disclosed