SCHEMBL7672299

SCHEMBL7672299

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1S(=O)(=O)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
KDM1A O60341 2/20 0.46
GPR119 Q8TDV5 1/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
PDK2 Q15119 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
SCD5 Q86SK9 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL7677849 0.81 BCHE (0.51) OPRD1OPRK1KDM1AGPR119TSHR
SCHEMBL6155331 0.78 AVPR1A (0.48) KDM1AGPR119TSHRALOX15ATM
SCHEMBL7675375 0.76 DRD2 (0.55)
SCHEMBL6397994 0.76 MAPK1 (0.45) OPRD1OPRK1KDM1AGPR119TSHR
SCHEMBL1195959 0.76 NR1H2 (0.51) OPRD1OPRK1KDM1AGPR119PDK2
SCHEMBL31185482 0.76 MAPK1 (0.45) OPRD1OPRK1KDM1AGPR119TSHR
SCHEMBL1195957 0.76 NR1H2 (0.51) OPRD1OPRK1KDM1AGPR119PDK2
SCHEMBL20511867 0.76 OPRD1 (0.49) OPRD1OPRK1KDM1AGPR119TSHR
SCHEMBL29993143 0.76 OPRD1 (0.49) OPRD1OPRK1KDM1AGPR119TSHR
SCHEMBL7675108 0.76 POLB (0.52) OPRD1OPRK1KDM1AGPR119TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed