SCHEMBL10526656

SCHEMBL10526656

CC(C)(C)c1ccccc1C(O)CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.71
▸ KCNH2 Q12809 4/20 0.71
▸ LMNA P02545 3/20 0.71
▸ DRD3 P35462 3/20 0.71
▸ HTR2A P28223 2/20 0.71
▸ HTR2B P41595 2/20 0.71
▸ BLM P54132 2/20 0.71
▸ DRD2 P14416 2/20 0.71
▸ CYP2J2 P51589 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ CACNA1F O60840 1/20 0.71
▸ GMNN O75496 1/20 0.71
▸ USP2 O75604 1/20 0.71
▸ EGFR P00533 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ FYN P06241 1/20 0.71
▸ CHRM2 P08172 1/20 0.71
▸ ABCB1 P08183 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71

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
SCHEMBL8456714 0.89 HRH1 (0.73) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL8454720 0.89 HRH1 (0.74) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL8454992 0.88 HRH1 (0.72) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL29120622 0.87 HRH1 (0.64) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL8678278 0.84 HRH1 (0.68) HRH1KCNH2LMNADRD3HTR2A
Terfenadine SCHEMBL5999024 0.83 KCNH2 (1.00) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11871354 0.83 KCNH2 (0.96) HRH1KCNH2LMNADRD3HTR2A
R-Terfenadine SCHEMBL155924 0.83 KCNH2 (1.00) HRH1KCNH2LMNADRD3HTR2A
Terfenadine SCHEMBL5998456 0.83 KCNH2 (1.00) HRH1KCNH2LMNADRD3HTR2A
Terfenadine SCHEMBL5999023 0.83 KCNH2 (1.00) HRH1KCNH2LMNADRD3HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1290661-A — — None — — JP disclosed
JP-H01290661-A PRODUCTION OF POLYMORPHICALLY PURE TERPHENAZINE MERRELL DOW PHARMACEUT INC 1989-11-22 — — JP disclosed
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