SCHEMBL9523016

SCHEMBL9523016

N#CC1=CCCc2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
DYRK1A Q13627 2/20 0.35
PIM1 P11309 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK5 Q00535 1/20 0.35
ROCK1 Q13464 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL769013 0.76 GABRA1 (0.31)
SCHEMBL9448055 0.76 SIGMAR1 (0.41)
SCHEMBL2775537 0.71 CES1 (0.39) PARP10PARP11
SCHEMBL10835993 0.70 KDM4E (0.36)
SCHEMBL28780467 0.69 PARP10 (0.44) PARP10PARP11DYRK1APIM1CSNK1A1
SCHEMBL10750870 0.67 MEN1 (0.33)
SCHEMBL610655 0.66 KDM4E (0.51)
SCHEMBL9448042 0.66 PARP10 (0.40) PARP10PARP11
SCHEMBL2675045 0.65 PARP10 (0.40) PARP10PARP11DYRK1APIM1CSNK1A1
SCHEMBL2674737 0.64 PARP10 (0.36) PARP10PARP11DYRK1APIM1CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed