SCHEMBL7660010

SCHEMBL7660010

CC1=C(C(=O)O)C(c2ccc(F)c(F)c2)N(C)C(=O)N1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.53
ADRA1D P25100 7/20 0.53
ADRA1B P35368 7/20 0.53
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 1/20 0.41
HTR7 P34969 2/20 0.41
RECQL P46063 2/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 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
SCHEMBL7664087 1.00 ADRA1A (0.53) ADRA1AADRA1DADRA1BLMNANPSR1
SCHEMBL7658023 1.00 ADRA1A (0.53) ADRA1AADRA1DADRA1BLMNANPSR1
SCHEMBL7660469 0.86 ADRA1A (0.55) ADRA1AADRA1DADRA1BLMNANPSR1
SCHEMBL7662361 0.83 ADRA1A (0.58) ADRA1AADRA1DADRA1BLMNANPSR1
SCHEMBL7660734 0.78 ADRA1D (0.42) ADRA1AADRA1DADRA1B
SCHEMBL7660499 0.77 ADRA1D (0.43) ADRA1AADRA1DADRA1BHTR7
SCHEMBL7667964 0.76 ADRA1A (0.57) ADRA1AADRA1DADRA1BLMNAPOLB
SCHEMBL7667781 0.76 ADRA1A (0.57) ADRA1AADRA1DADRA1BLMNAPOLB
SCHEMBL7656196 0.76 ADRA1A (0.57) ADRA1AADRA1DADRA1BLMNAPOLB
SCHEMBL7668994 0.75 ADRA1D (0.41) ADRA1AADRA1DADRA1BLMNANPSR1

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
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US 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
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed