SCHEMBL8926453

SCHEMBL8926453

CN1CCc2c(Cl)ccc3oc(C(=O)O)c(c23)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.64
ADRA2B P18089 5/20 0.64
ADRA2C P18825 5/20 0.64
ADRA1D P25100 5/20 0.64
ADRA1A P35348 5/20 0.64
ADRA1B P35368 5/20 0.64
CYP2D6 P10635 1/20 0.37
HTR6 P50406 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 2/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA1 P30542 1/20 0.35
RAD52 P43351 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ERN1 O75460 1/20 0.34

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
Hydrochloric Acid SCHEMBL9384115 0.99 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9383655 0.90 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380932 0.90 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380525 0.88 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL8927221 0.88 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10534775 0.87 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379937 0.86 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378176 0.86 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9774583 0.85 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9379497 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 4 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 claimed
US-5599810-A ADMINISTERING IN TREATMENT OF BENIGN PROSTATIC HYPERTROPHY, PERIPHERAL VASCULAR DISEASE AND CONGESTIVE HEART FAILURE SMITHKLINE BEECHAM CORPORATION (US) 1997-02-04 US disclosed
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