SCHEMBL7846708

SCHEMBL7846708

c1ccc2c(c1)OC[C@H]1CNC[C@H]21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
SSTR4 P31391 1/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HTR2B P41595 5/20 0.36
HTR2C P28335 3/20 0.36
HTR2A P28223 2/20 0.36
BPTF Q12830 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL7847793 1.00 DRD2 (0.48) DRD2DRD3SSTR4CHRNB4CHRNA3
SCHEMBL6245152 1.00 DRD2 (0.48) DRD2DRD3SSTR4CHRNB4CHRNA3
SCHEMBL29960480 1.00 DRD2 (0.48) DRD2DRD3SSTR4CHRNB4CHRNA3
SCHEMBL7846711 1.00 DRD2 (0.48) DRD2DRD3SSTR4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8686016 0.98 DRD2 (0.47) DRD2DRD3SSTR4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8903758 0.98 DRD2 (0.47) DRD2DRD3SSTR4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL29960743 0.98 DRD2 (0.47) DRD2DRD3SSTR4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL29960383 0.98 DRD2 (0.47) DRD2DRD3SSTR4CHRNB4CHRNA3
SCHEMBL12649085 0.87 DRD2 (0.45) DRD2DRD3SSTR4CHRNB4CHRNA3
SCHEMBL8528971 0.85 DRD2 (0.44) DRD2DRD3SSTR4LTB4RLTB4R2

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 4 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
US-5723484-A Benzopyran compounds as 5-HT2C receptor antagonists ADIR ET COMPAGNIE (FR) 1998-03-03 US disclosed