SCHEMBL7668741

SCHEMBL7668741

N#Cc1ccccc1C1(C#N)CCN(CCC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 14/20 0.44
ADRA1D P25100 12/20 0.42
ADRA1B P35368 12/20 0.42
OPRM1 P35372 2/20 0.40

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 SCHEMBL7664114 0.99 ADRA1A (0.44) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL7662399 0.86 ADRA1A (0.45) ADRA1AADRA1DADRA1BOPRM1
Hydrochloric Acid SCHEMBL7664053 0.85 ADRA1A (0.44) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL7994398 0.84 ADRA1A (0.49) ADRA1AADRA1DADRA1B
SCHEMBL7668749 0.81 OPRM1 (0.48) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL7994824 0.81 OPRM1 (0.44) ADRA1AADRA1DADRA1BOPRM1
Hydrochloric Acid SCHEMBL7664127 0.80 OPRM1 (0.47) ADRA1AADRA1DADRA1BOPRM1
Hydrochloric Acid SCHEMBL7702085 0.80 OPRM1 (0.47) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL8003097 0.77 ADRA1A (0.56) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL7655701 0.77 ADRA1A (0.47) ADRA1AADRA1DADRA1B

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 claimed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US claimed
WO-2000027817-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO claimed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO claimed
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-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed