SCHEMBL8876972

SCHEMBL8876972

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 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

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
SCHEMBL8875656 0.84 LMNA (0.46) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL8875351 0.83 LMNA (0.50) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL7052213 0.83 HTR1A (0.58) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL8876807 0.79 MAPT (0.50) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL27382497 0.78 ALDH1A1 (0.48) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL8878173 0.78 ALDH1A1 (0.48) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL7050353 0.77 HTR1A (0.61) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL8876451 0.77 HTR1A (0.71) LMNAALDH1A1MAPTKMT2AHTR1A
SCHEMBL8876147 0.76 LMNA (0.48) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL8875205 0.76 ALDH1A1 (0.49) LMNAALDH1A1MAPTSMN1; SMN2NPSR1

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 5 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
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO 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