SCHEMBL18768632

SCHEMBL18768632

CCN(CC1CC2CCC(C1)N2Cc1cccc(F)c1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ AR P10275 1/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL18768577 0.91 DRD2 (0.43) ATMDRD2DRD1DRD4HTR2C
SCHEMBL18768441 0.91 USP2 (0.47) MEN1KMT2AARUSP2
SCHEMBL18768451 0.90 MDM2 (0.44) DRD2DRD1DRD4HTR2CDRD3
SCHEMBL18768445 0.88 PDGFRB (0.44) MEN1KMT2ADRD2DRD3
SCHEMBL18768444 0.87 MDM2 (0.50) DRD2DRD1DRD4HTR2CDRD3
SCHEMBL18768401 0.86 ALDH1A1 (0.51) ALDH1A1DRD2DRD4
SCHEMBL18768442 0.86 PKM (0.39) ALDH1A1PKMDRD2DRD4DRD3
SCHEMBL18768630 0.82 KDM4E (0.40) ALDH1A1
SCHEMBL18768446 0.81 MEN1 (0.45) ALDH1A1MEN1KMT2ADRD2DRD1
SCHEMBL18766913 0.80 AKR1C3 (0.44) ALDH1A1MEN1KMT2AATMPKM

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-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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