SCHEMBL7711282

SCHEMBL7711282

COC(=O)c1cc(F)ccc1N1CCC(NCCN)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 1/20 0.42
VCP P55072 2/20 0.41
DRD3 P35462 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRL1 P41146 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR6 P46095 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7711280 0.87 ALDH1A1 (0.44) OPRK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7714769 0.84 OPRK1 (0.45) OPRK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL28965451 0.78 KDM4E (0.56) OPRK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL23611761 0.77 KDM4E (0.58) OPRK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7716783 0.75 CHRM4 (0.45) KDM4EVCPDRD3DRD2OPRL1
SCHEMBL16896437 0.73 CKS1B (0.48) KDM4EDRD2
SCHEMBL7711170 0.72 NPC1 (0.55) ALDH1A1KDM4ENPC1MAPTALOX15
SCHEMBL7714901 0.71 DRD2 (0.50) ALDH1A1KDM4EMAPTMAPK1DRD3
SCHEMBL853123 0.71 ALDH1A1 (0.54) OPRK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL23555154 0.71 OPRL1 (0.47) ALDH1A1DRD4OPRL1

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