Sugi Predict

Sugi Predict / Compounds / SCHEMBL7466673

SCHEMBL7466673

SCHEMBL7466673

Fc1ccc([C@H]2CCN(Cc3ccccc3)C[C@H]2COCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ BACE1 P56817 2/20 0.48
▸ DRD2 P14416 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ CCR5 P51681 1/20 0.46

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
SCHEMBL7466660 1.00 BCHE (0.48) BCHEACHEBACE1DRD2HTR2A
SCHEMBL7466670 1.00 BCHE (0.48) BCHEACHEBACE1DRD2HTR2A
SCHEMBL10841245 0.86 BCHE (0.48) BCHEACHEBACE1
SCHEMBL7417311 0.85 KCNH2 (0.44) BCHEDRD2HTR2A
SCHEMBL7469196 0.85 KCNH2 (0.44) BCHEDRD2HTR2A
SCHEMBL7417320 0.85 KCNH2 (0.44) BCHEDRD2HTR2A
SCHEMBL7248619 0.84 ACHE (0.53) BCHEACHEBACE1DRD2SIGMAR1
SCHEMBL7248624 0.84 ACHE (0.53) BCHEACHEBACE1DRD2SIGMAR1
SCHEMBL7248622 0.84 ACHE (0.53) BCHEACHEBACE1DRD2SIGMAR1
Hydrochloric Acid SCHEMBL8718323 0.84 KCNH2 (0.43) BCHEDRD2HTR2A

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
EP-0923554-B1 N-BENZYLPIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES RICHTER GEDEON VEGYESZET (HU) 2002-01-09 — — EP disclosed