SCHEMBL9534333

SCHEMBL9534333

CCC(=O)N(C)Cc1oc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.53
ADRA2B P18089 6/20 0.53
ADRA2C P18825 6/20 0.53
ADRA1D P25100 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA1B P35368 5/20 0.53
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
HTR6 P50406 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.31
AGPAT2 O15120 1/20 0.31
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9534834 0.89 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536413 0.84 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9535883 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378713 0.80 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534027 0.80 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380276 0.79 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8927606 0.79 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9382507 0.78 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535651 0.78 ADRA1D (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380949 0.78 ADRA2A (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP claimed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US claimed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP claimed
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed