SCHEMBL14940633

SCHEMBL14940633

COc1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
ACHE P22303 1/20 0.47
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 1/20 0.45
ESR1 P03372 1/20 0.43
HSD17B2 P37059 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B1 P14061 1/20 0.43

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
SCHEMBL11849583 0.85 MTNR1A (0.47) TAAR1ACHEMTNR1AMTNR1BHSD17B2
SCHEMBL26042904 0.84 TAAR1 (0.51) TAAR1ACHEMTNR1AMTNR1BALDH1A1
SCHEMBL19009080 0.82 SLC6A2 (0.49) TAAR1ACHEMTNR1AMTNR1BALDH1A1
SCHEMBL10689284 0.80 ALDH1A1 (0.36) TAAR1ACHEALDH1A1CYP3A4ESR1
SCHEMBL13338403 0.79 ALDH1A1 (0.48) TAAR1ACHEMTNR1AMTNR1BALDH1A1
SCHEMBL31256052 0.79 ACHE (0.54) ACHEMTNR1AMTNR1BALDH1A1CA1
SCHEMBL20979821 0.79 ACHE (0.54) ACHEMTNR1AMTNR1BALDH1A1CA1
SCHEMBL30054343 0.77 MTNR1A (0.61) ACHEMTNR1AMTNR1BALDH1A1CA1
SCHEMBL820669 0.77 ACHE (0.52) ACHEMTNR1AMTNR1BALDH1A1CA1
SCHEMBL1134082 0.77 MTNR1A (0.61) ACHEMTNR1AMTNR1BALDH1A1CA1

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-4705297-A1 SMALL MOLECULE THERAPY FOR DUCHENNE MUSCULAR DYSTROPHY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-03-11 EP disclosed
WO-2024229205-A1 SMALL MOLECULE THERAPY FOR DUCHENNE MUSCULAR DYSTROPHY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-07 WO disclosed
WO-2013068592-A1 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2013-05-16 WO disclosed