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SCHEMBL8712569

SCHEMBL8712569

O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 17/20 1.00
▸ DRD2 P14416 15/20 1.00
▸ HTR2A P28223 2/20 0.75
▸ HDAC3 O15379 1/20 0.71
▸ HDAC4 P56524 1/20 0.71
▸ HDAC7 Q8WUI4 1/20 0.71
▸ HDAC9 Q9UKV0 1/20 0.71
▸ HDAC5 Q9UQL6 1/20 0.71
▸ NCOR2 Q9Y618 1/20 0.71
▸ CHRM4 P08173 1/20 0.69
▸ SLC6A5 Q9Y345 1/20 0.67

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
SCHEMBL8706290 0.91 DRD2 (1.00) DRD4DRD2HTR2A
SCHEMBL8707354 0.91 DRD2 (1.00) DRD4DRD2HTR2A
SCHEMBL7214415 0.90 DRD4 (0.81) DRD4DRD2CHRM4SLC6A5
SCHEMBL8711087 0.89 DRD2 (1.00) DRD4DRD2HTR2ACHRM4
SCHEMBL5310457 0.88 DRD4 (0.78) DRD4DRD2HTR2AHDAC3HDAC4
SCHEMBL3172278 0.88 DRD4 (0.78) DRD4DRD2HTR2AHDAC3HDAC4
SCHEMBL8706273 0.88 DRD2 (0.89) DRD4DRD2HTR2ACHRM4
SCHEMBL8706523 0.88 DRD2 (1.00) DRD4DRD2HTR2A
SCHEMBL62082 0.88 SLC6A5 (0.81) DRD4DRD2CHRM4SLC6A5
SCHEMBL7694198 0.86 DRD2 (0.85) DRD4DRD2HTR2A

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-1998037064-A1 BENZAMIDES HAVING DOPAMINE D4 RECEPTOR AFFINITY HOECHST MARION ROUSSEL, INC. (US) 1998-08-27 — — WO disclosed