SCHEMBL8103064

SCHEMBL8103064

Cc1cc(N=C=S)c(C)c2c(C)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
PSMD14 O00487 1/20 0.30
COPS5 Q92905 1/20 0.30

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
SCHEMBL8112472 0.86 APLNR (0.41) APLNRALDH1A1
SCHEMBL8112804 0.86 DRD1 (0.33) APLNR
SCHEMBL8117319 0.78 L3MBTL1 (0.49) APLNRCCR1CCR5CCR8ALDH1A1
SCHEMBL6971396 0.70 NOS2 (0.45) CCR1CCR5CCR8LMNANOS3
SCHEMBL1669750 0.70 CCR1 (0.54) CCR1CCR5CCR8LMNANOS3
SCHEMBL8578575 0.70 APLNR (0.30) APLNR
SCHEMBL8927071 0.70 PARP1 (0.34) APLNR
SCHEMBL16707424 0.69 ALDH1A1 (0.36) APLNRALDH1A1LMNA
SCHEMBL16707410 0.68 ALDH1A1 (0.43) APLNRALDH1A1LMNA
SCHEMBL7737452 0.67 APLNR (0.43) APLNRCCR1CCR8ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736020-B1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2000-04-26 EP disclosed
US-5804587-A 6-(2-imidazolinylamino) quinolines useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1998-09-08 US disclosed
US-5739148-A RESPIRATORY SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, VISION DISORDERS THE PROCTER & GAMBLE COMPANY 1998-04-14 US disclosed
US-5578607-A 6-(2-imidazolinylamino)quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-26 US disclosed
EP-0736020-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
WO-1995016683-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed