SCHEMBL24460672

SCHEMBL24460672

C#Cc1ccc(C2CCCN(Cc3ccc(C(N)(N)C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.48
▸ ROCK2 O75116 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD5 P21918 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PDE2A O00408 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL24460951 0.83 ALDH1A1 (0.48) CNR2ROCK2DRD2DRD1DRD4
SCHEMBL24460737 0.83 ALDH1A1 (0.48) CNR2ROCK2DRD2DRD1DRD4
SCHEMBL24460679 0.80 DRD4 (0.52) CNR2ROCK2DRD2DRD1DRD4
SCHEMBL24460661 0.74 KDM4E (0.56) CNR2POLBMAPTKDM4EALDH1A1
SCHEMBL24460625 0.74 KDM4E (0.56) CNR2POLBMAPTKDM4EALDH1A1
SCHEMBL24460749 0.73 CNR2 (0.70) CNR2DRD2DRD1DRD4DRD5
SCHEMBL24460758 0.71 ALDH1A1 (0.59) CNR2ROCK2DRD2DRD1DRD4
SCHEMBL24460730 0.70 CNR2 (0.52) CNR2DRD2DRD1DRD4DRD5
SCHEMBL24460624 0.70 GAA (0.58) CNR2DRD2DRD1DRD4DRD5
SCHEMBL24460628 0.69 ALDH1A1 (0.52) CNR2DRD4POLBMAPTKDM4E

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-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
Send feedback