SCHEMBL8386603

SCHEMBL8386603

[CH2]CN1CC[C@@H]2c3c(OC)cccc3OC[C@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 3/20 0.39
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
FTO Q9C0B1 1/20 0.38

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
SCHEMBL8382965 0.91 DRD2 (0.42) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL8382326 0.91 DRD2 (0.42) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL8386702 0.90 HTR1A (0.45) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL8384036 0.90 HTR1A (0.45) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL8382906 0.89 DRD2 (0.46) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL7835083 0.86 HTR1A (0.42) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL7835081 0.86 HTR1A (0.42) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL7845718 0.85 DRD2 (0.39) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL7845716 0.85 DRD2 (0.39) DRD2DRD3HTR1ANPC1MTOR
SCHEMBL7847830 0.84 HTR1A (0.44) DRD2DRD3HTR1ANPC1MTOR

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-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 US disclosed