SCHEMBL16701987

SCHEMBL16701987

O=c1[nH]c2cccc(N3CCN(Cc4ccc(OC5CCNCC5)cc4)CC3)c2o1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.59
HTR1A P08908 16/20 0.59
SLC6A4 P31645 3/20 0.48
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL16701857 0.87 DRD2 (0.55) DRD2HTR1ASLC6A4HTR2AMCHR1
SCHEMBL16702159 0.85 MAOA (0.41) DRD2HTR1A
SCHEMBL16703439 0.83 HTR1A (0.53) DRD2HTR1A
SCHEMBL3862596 0.81 DRD2 (0.85) DRD2HTR1AHTR2AMCHR1
SCHEMBL16712645 0.80 DRD2 (0.63) DRD2HTR1ASLC6A4HTR2AMCHR1
SCHEMBL16712643 0.77 DRD2 (0.62) DRD2HTR1ASLC6A4
SCHEMBL16702266 0.77 DRD2 (0.61) DRD2HTR1ASLC6A4HTR2AMCHR1
SCHEMBL16703896 0.76 DRD2 (0.46) DRD2HTR1ASLC6A4HTR2AMCHR1
SCHEMBL12672777 0.75 DRD2 (0.80) DRD2HTR1ASLC6A4
SCHEMBL3859594 0.75 DRD2 (0.74) DRD2HTR1AHTR2AMCHR1

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
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed