SCHEMBL9379679

SCHEMBL9379679

CCOC(=O)c1oc2ccc(Cl)c3c2c1CN(C(C)=O)CC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KDM4E B2RXH2 7/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HTR6 P50406 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL9382761 0.92 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8926441 0.87 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379686 0.86 KDM4E (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380937 0.86 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379684 0.84 ADORA1 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10465449 0.84 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380249 0.83 ALDH1A1 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378654 0.83 ADORA1 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9385361 0.79 PTGDR2 (0.46) KDM4ESMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL9379761 0.79 KDM4E (0.43) KDM4ERAB9ASMN1; SMN2USP2ALDH1A1

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-0344982-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP disclosed
US-4978660-A 2-SUBSTITUTED-3,4,5,6-TETRAHYDROFURO(4,3,2-EF)(3)BENZAZEPINE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-18 US disclosed
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 US disclosed
WO-1989012051-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344982-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed