SCHEMBL8875656

SCHEMBL8875656

Cc1c(-c2ccccc2)oc2c(CNC(=O)NCCCl)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 7/20 0.45
HTR1A P08908 2/20 0.43
ADRA1A P35348 2/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL8875205 0.88 ALDH1A1 (0.49) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876972 0.84 LMNA (0.48) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL7052213 0.82 HTR1A (0.58) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876518 0.81 MAPT (0.49) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875855 0.80 LMNA (0.48) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL5116298 0.79 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875991 0.79 LMNA (0.47) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL5118184 0.78 LMNA (0.54) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875368 0.77 GLA (0.63) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL14266220 0.77 LMNA (0.55) LMNAMAPTSMN1; SMN2NPSR1GAA

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
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
US-5403842-A Adrenergic blocking and antiserotonine agents; urogenital disorders including spasms of the urethral tract and prostrate problems RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-04-04 US disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed