SCHEMBL9684850

SCHEMBL9684850

COc1cccc2c3c(cnc12)CCCN3c1ccccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.52
ATP4B P51164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9687149 0.85 KDM4E (0.63) ATP4AATP4BKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL9686490 0.84 KDM4E (0.62) ATP4AATP4BKDM4EALDH1A1LMNA
SCHEMBL9684754 0.81 KDM4E (0.51) KDM4E
SCHEMBL9684770 0.76 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL9685162 0.76 KDM4E (0.86) KDM4EALDH1A1LMNAGLAHTT
SCHEMBL9685709 0.70 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL9685620 0.68 KDM4E (1.00) KDM4EALDH1A1LMNAGLAHTT
SCHEMBL9685745 0.68 KDM4E (0.62) KDM4EALDH1A1
SCHEMBL20490797 0.67 TUBB4A (0.65) KDM4EALDH1A1GLAMAPTHTT
SCHEMBL27730947 0.66 ROCK1 (0.49) ALDH1A1

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
EP-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP claimed
US-5051508-A Antisecretory agents and enzyme inhibitors as antiulcer agents SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1991-09-24 US claimed
EP-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP disclosed
US-5051508-A Antisecretory agents and enzyme inhibitors as antiulcer agents SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1991-09-24 US disclosed
EP-0307078-A1 Quinoline derivatives, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-03-15 EP disclosed