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Terfenadine

Terfenadine

SCHEMBL7614378

CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.CN(C)CCOC(c1ccccc1)c1ccccc1.CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.Cl.O=C(O)/C=C/C(=O)O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Terfenadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 known ✓ P35367 5/20 0.46
▸ LMNA P02545 6/20 0.52
▸ BLM P54132 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ PMP22 Q01453 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ GMNN O75496 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 1/20 0.49
▸ KCNH2 Q12809 5/20 0.46
▸ DRD3 P35462 4/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR2B P41595 3/20 0.46
▸ CHRM2 P08172 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ SLC6A2 P23975 3/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ CYP2C19 P33261 3/20 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
Terfenadine SCHEMBL8887396 0.82 LMNA (0.59) LMNABLMCYP3A4PMP22MEN1
Clemastine SCHEMBL6904801 0.82 DRD2 (0.64) LMNABLMCYP3A4PMP22MEN1
Fexofenadine SCHEMBL19928747 0.77 LMNA (0.77) LMNABLMCYP3A4PMP22MEN1
Clemastine SCHEMBL28193835 0.77 CHRM2 (0.73) LMNABLMCYP3A4PMP22MEN1
Clemastine SCHEMBL4652160 0.77 CHRM2 (0.73) LMNABLMCYP3A4PMP22MEN1
Terfenadine SCHEMBL3654979 0.75 KCNH2 (0.61) LMNABLMCYP3A4PMP22MEN1
Clemastine SCHEMBL28203548 0.74 CHRM2 (0.66) LMNABLMCYP3A4PMP22MEN1
Fexofenadine SCHEMBL14603524 0.72 DRD3 (0.73) LMNABLMCYP3A4PMP22MEN1
Fexofenadine SCHEMBL361347 0.72 LMNA (0.73) LMNABLMCYP3A4PMP22MEN1
Clemastine SCHEMBL15526489 0.72 CYP3A4 (1.00) LMNABLMCYP3A4PMP22MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1139773-A4 CONTROLLING RELEASE OF ACTIVE AGENTS FROM A CHEWING GUM COATING WRIGLEY W M JUN CO (US) 2002-06-12 — — EP disclosed
EP-1139773-A1 CONTROLLING RELEASE OF ACTIVE AGENTS FROM A CHEWING GUM COATING WM. WRIGLEY JR. COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000035295-A1 CONTROLLING RELEASE OF ACTIVE AGENTS FROM A CHEWING GUM COATING WM. WRIGLEY JR. COMPANY (US) 2000-06-22 — — WO disclosed
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