Sugi Predict

Sugi Predict / Compounds / SCHEMBL8711087

SCHEMBL8711087

SCHEMBL8711087

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 17/20 1.00
▸ DRD4 P21917 17/20 1.00
▸ SLC6A12 P48065 1/20 0.80
▸ TMEM97 Q5BJF2 1/20 0.80
▸ MCHR1 Q99705 1/20 0.80
▸ SIGMAR1 Q99720 1/20 0.80
▸ HTR2A P28223 2/20 0.73
▸ CCR3 P51677 1/20 0.68
▸ CHRM4 P08173 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
SCHEMBL8707354 0.93 DRD2 (1.00) DRD2DRD4SLC6A12TMEM97MCHR1
SCHEMBL8706290 0.93 DRD2 (1.00) DRD2DRD4SLC6A12TMEM97MCHR1
SCHEMBL8705985 0.91 DRD2 (1.00) DRD2DRD4SLC6A12TMEM97MCHR1
SCHEMBL8706273 0.90 DRD2 (0.89) DRD2DRD4HTR2ACHRM4
SCHEMBL8706523 0.90 DRD2 (1.00) DRD2DRD4HTR2A
SCHEMBL1425074 0.89 SIGMAR1 (1.00) DRD2DRD4SLC6A12TMEM97MCHR1
SCHEMBL8712569 0.89 DRD4 (1.00) DRD2DRD4HTR2ACHRM4
Hydrochloric Acid SCHEMBL9785680 0.88 SIGMAR1 (0.97) DRD2DRD4SLC6A12TMEM97MCHR1
SCHEMBL7694198 0.88 DRD2 (0.85) DRD2DRD4SLC6A12TMEM97MCHR1
SCHEMBL7694199 0.88 DRD2 (0.85) DRD2DRD4SLC6A12TMEM97MCHR1

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