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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8840285

O=C1CCC(CCC[N+]23CCC(c4ccccc4)(CC2)CC3)(c2ccc(Cl)c(Cl)c2)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Cl-]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 known ✓ P25103 19/20 0.51
▸ TACR2 P21452 4/20 0.51
▸ TACR3 P29371 4/20 0.51
▸ CCR5 P51681 2/20 0.49

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
SCHEMBL8992082 0.99 TACR1 (0.52) TACR1TACR2TACR3CCR5
Water SCHEMBL8840295 0.94 TACR1 (0.52) TACR1TACR2TACR3CCR5
SCHEMBL8991942 0.94 TACR1 (0.53) TACR1TACR2TACR3
Water SCHEMBL8840361 0.90 TACR1 (0.47) TACR1TACR2TACR3CCR5
SCHEMBL8991937 0.90 TACR1 (0.48) TACR1TACR2TACR3
Water SCHEMBL8840276 0.87 CCR5 (0.46) TACR1TACR2TACR3CCR5
SCHEMBL7764281 0.87 CCR5 (0.46) TACR1TACR2TACR3CCR5
Water SCHEMBL9075386 0.86 TACR1 (0.51) TACR1TACR2TACR3CCR5
Water SCHEMBL8840256 0.85 TACR1 (0.41) TACR1TACR2TACR3CCR5
SCHEMBL8991919 0.85 TACR1 (0.42) TACR1TACR2TACR3

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
US-5656639-A POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1997-08-12 — — US disclosed