SCHEMBL7711280

SCHEMBL7711280

COC(=O)c1cc(F)ccc1N1CCC(NCC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
OPRK1 P41145 4/20 0.43
GAA P10253 3/20 0.40
ALOX15 P16050 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
VCP P55072 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
GPR6 P46095 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL7711282 0.87 OPRK1 (0.46) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7719028 0.84 MYC (0.44) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7716779 0.80 CHRM4 (0.47) SMN1; SMN2VCP
SCHEMBL28965451 0.78 KDM4E (0.56) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL23611761 0.77 KDM4E (0.58) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7718924 0.75 TSHR (0.51) RAB9AHPGDDRD2DRD3
SCHEMBL7711167 0.73 NPC1 (0.56) ALDH1A1KDM4ENPC1MAPTALOX15
SCHEMBL16896437 0.73 CKS1B (0.48) KDM4EDRD2
SCHEMBL7715998 0.73 NPY5R (0.46) VCP
SCHEMBL853123 0.71 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9AMAPT

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-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed