SCHEMBL7967371

SCHEMBL7967371

NC(=O)C1CN(C2CCC(c3ccccn3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 1/20 0.43
CCR2 P41597 1/20 0.43
KCNH2 Q12809 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.40
DRD4 P21917 7/20 0.39
SPR P35270 1/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM5A P29375 1/20 0.38
CFTR P13569 1/20 0.37

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 SCHEMBL7971160 0.99 CCRL2 (0.43) CCRL2CCR2KCNH2OPRM1OPRD1
SCHEMBL30131210 0.85 KMT2A (0.47) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL16803154 0.85 KMT2A (0.47) OPRM1OPRD1OPRK1OPRL1MEN1
Hydrochloric Acid SCHEMBL30562858 0.84 KMT2A (0.46) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL7966071 0.81 DRD4 (0.39) CCRL2CCR2KCNH2OPRM1OPRD1
Carbamic Acid SCHEMBL10474895 0.80 ALDH1A1 (0.46) KMT2APOLBHSD11B1DRD4DRD2
SCHEMBL7707357 0.79 OPRM1 (0.40) CCRL2CCR2KCNH2OPRM1OPRD1
SCHEMBL7702059 0.79 OPRM1 (0.40) CCRL2CCR2KCNH2OPRM1OPRD1
Hydrochloric Acid SCHEMBL7971161 0.78 OPRM1 (0.40) CCRL2CCR2KCNH2OPRM1OPRD1
SCHEMBL31250321 0.77 KMT2A (0.43) OPRM1OPRD1OPRK1OPRL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed