SCHEMBL10947493

SCHEMBL10947493

CNC(=O)COc1ccc(Cc2ncc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.49
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL11207092 0.85 GAA (0.59) TAAR1MAPTLMNAPKMSMN1; SMN2
SCHEMBL10852193 0.85 TAAR1 (0.57) TAAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL10945831 0.83 TAAR1 (0.51) TAAR1MAPTPRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL10854378 0.83 TAAR1 (0.55) TAAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL10852582 0.83 GAA (0.51) TAAR1MAPTALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL10854139 0.82 TAAR1 (0.54) TAAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL11213148 0.82 RAB9A (0.52) TAAR1MAPTLMNAPKMMEN1
SCHEMBL11206271 0.81 ALPL (0.46) TAAR1MAPTLMNAPKMALDH1A1
SCHEMBL11208093 0.81 NPC1 (0.62) MAPTLMNAPKMMEN1KMT2A
SCHEMBL11706270 0.78 TAAR1 (0.59) TAAR1MAPTLMNAALDH1A1SMN1; SMN2

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
US-4555516-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1985-11-26 — — US disclosed
US-4448781-A CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1984-05-15 — — US disclosed
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