SCHEMBL8306863

SCHEMBL8306863

C=C1Nc2ccccc2N1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
OPRK1 P41145 4/20 0.53
HTR2A P28223 4/20 0.53
HTR2C P28335 3/20 0.53
ADRA1A P35348 3/20 0.53
HRH1 P35367 3/20 0.53
DRD3 P35462 3/20 0.53
OPRD1 P41143 3/20 0.53
HTR6 P50406 3/20 0.53
SLC6A3 Q01959 3/20 0.53
CACNA1C Q13936 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 3/20 0.53
MAPK1 P28482 3/20 0.53
MTOR P42345 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
BLM P54132 3/20 0.53
PMP22 Q01453 3/20 0.53
KMT2A Q03164 3/20 0.53

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
SCHEMBL8305633 0.95 OPRK1 (0.49) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL904849 0.77 OPRM1 (0.57) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL18309848 0.76 OPRM1 (0.57) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL904851 0.76 OPRM1 (0.52) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL7519553 0.76 OPRM1 (0.56) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL3881201 0.76 OPRM1 (0.56) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL904939 0.75 HTR2A (0.57) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL904839 0.74 DRD3 (0.54) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL904883 0.74 HTR2A (0.52) OPRM1OPRK1HTR2AHTR2CADRA1A
SCHEMBL904826 0.74 HTR2A (0.58) OPRM1OPRK1HTR2AHTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3803402-B1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AG (DE) 2023-04-26 EP disclosed
WO-2018065771-A1 INHIBITOR OF RAN AT TRANSCRIPTIONAL LEVEL FOR USE IN THE TREATMENT OF CANCER UNIVERSITY OF BRADFORD (GB) 2018-04-12 WO disclosed
WO-2004093813-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CALCIUM MODULATING AGENT FOR THE TREATMENT OF PAIN, INFLAMMATION OR INFLAMMATION MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed