Apadoline

Apadoline

SCHEMBL7518667

CCCNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
BCHE P06276 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 3/20 0.44
ACHE P22303 2/20 0.43
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41

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
Apadoline SCHEMBL635109 1.00 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2BCHE
Apadoline SCHEMBL31300302 1.00 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2BCHE
Apadoline SCHEMBL29878314 1.00 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2BCHE
SCHEMBL9784875 0.99 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2BCHE
Apadoline SCHEMBL9332140 0.99 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2BCHE
SCHEMBL9501761 0.94 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2BCHE
SCHEMBL9784910 0.94 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784859 0.94 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784902 0.93 SMN1; SMN2 (0.46) KMT2AMEN1LMNASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784906 0.93 SMN1; SMN2 (0.46) KMT2AMEN1LMNASMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633780-B1 USE OF PHENOTHIAZINE DERIVATIVES FOR TREATING ISCHAEMIA AND/OR HYPOXIA RHONE POULENC RORER SA (FR) 1996-06-05 EP claimed
US-5502049-A AMINOALKYL AND AMIDE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-03-26 US claimed
EP-0346238-B1 ANALGESIC PHENOTHIAZINE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-06-09 EP claimed
EP-0825991-B1 DIARYLDIAMINE DERIVATIVES AND THEIR USE AS DELTA OPIOID (ANT)-AGONISTS SMITHKLINE BEECHAM SPA (IT) 2002-02-27 EP disclosed
US-5922887-A NOVEL DELTA OPIOD MODULATORS FOR THE TREATMENT OR PROPHYLAXIS OF PAIN, ORGAN TRANSPLANT REJECTION, DIARRHEA, EPILEPTIC SEIZURES, NEUROLOGICAL DISEASES, AND OTHER DISORDERS SMITHKLINE BEECHAM SPA (IT) 1999-07-13 US disclosed
EP-0825991-A1 DIARYLDIAMINE DERIVATIVES AND THEIR USE AS DELTA OPIOID (ANT)-AGONISTS Smithkline Beecham S.p.A. (IT) 1998-03-04 EP disclosed
WO-1996036620-A1 DIARYLDIAMINE DERIVATIVES AND THEIR USE AS DELTA OPIOID (ANT)-AGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1996-11-21 WO disclosed
US-5321026-A Antispasmodic agents RHONE-POULENC RORER S.A. (FR) 1994-06-14 US disclosed
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed