SCHEMBL19890917

SCHEMBL19890917

CCCCC(CCC)C(CCCC)CCCc1cc(OCC)nc(N2CCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ TSHR P16473 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL18029842 0.86 HTR1A (0.40) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL18005335 0.86 HTR1A (0.40) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL18005631 0.74 HTR1A (0.40) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL18005401 0.70 TSHR (0.51) TSHRLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL19899742 0.70 PDE10A (0.44) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL18005467 0.70 PDE10A (0.44) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL29733060 0.70 PDE10A (0.44) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL18005408 0.68 PDE10A (0.46) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL24331778 0.67 DRD2 (0.43) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL23781493 0.67 CASP1 (0.44) DRD2HTR7HTR6HTR1AHTR2A

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
WO-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 — — WO disclosed
Send feedback