SCHEMBL7665709

SCHEMBL7665709

CC(C)(C)OC(=O)NCCCN1CCC(c2cc(F)ccc2C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.52
ADRA1A P35348 6/20 0.52
ADRA1B P35368 6/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
HRH1 P35367 2/20 0.52
DRD2 P14416 8/20 0.48
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL7662199 0.88 DRD2 (0.54) ADRA1DADRA1AADRA1BDRD2
SCHEMBL6847617 0.86 DRD2 (0.59) DRD2CCNT1CDK9
SCHEMBL7661469 0.80 ADRA1A (0.59) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6848549 0.77 CCR2 (0.50) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL23595887 0.76 HTR2A (0.62) ADRA1DADRA1AADRA1BADRA2AHRH1
SCHEMBL7531578 0.76 ADRA1A (0.59) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL14619656 0.75 DRD2 (0.60) ADRA1DADRA1AADRA1BDRD2
SCHEMBL230687 0.75 HTR2A (0.56) DRD2
SCHEMBL7966008 0.75 DRD2 (0.72) DRD2
SCHEMBL6848950 0.75 DRD2 (0.55) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed
US-6319932-B1 USEFUL FOR TREATING BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-11-20 US disclosed
US-6235759-B1 BENIGN PROSTATIC HYPERPLASIA; HYPOTENSIVE AGENTS MERCK & CO., INC. 2001-05-22 US disclosed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000027817-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000025782-A1 DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed