SCHEMBL18768577

SCHEMBL18768577

CCN(CC1CC2CCC(C1)N2Cc1ccc(F)cc1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ MDM2 Q00987 1/20 0.42
▸ CCR3 P51677 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ DRD1 P21728 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 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
SCHEMBL18768441 0.93 USP2 (0.47) MDM2USP2OPRM1OPRD1
SCHEMBL18768444 0.92 MDM2 (0.50) DRD2DRD4DRD3MDM2USP2
SCHEMBL18768632 0.91 ALDH1A1 (0.43) DRD2DRD4DRD3CCR3USP2
SCHEMBL18768451 0.88 MDM2 (0.44) DRD2DRD4DRD3MDM2USP2
SCHEMBL18768442 0.88 PKM (0.39) DRD2DRD4DRD3
SCHEMBL18768630 0.86 KDM4E (0.40) MDM2OPRM1OPRD1
SCHEMBL18768575 0.85 — —
SCHEMBL18768445 0.84 PDGFRB (0.44) DRD2DRD3OPRM1OPRD1
SCHEMBL18768446 0.84 MEN1 (0.45) DRD2DRD4DRD3DRD1HTR2C
SCHEMBL18768448 0.80 AKR1C3 (0.45) MDM2

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
Send feedback