SCHEMBL25436643

SCHEMBL25436643

O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cnc(N2CCOCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
SNCA P37840 16/20 0.57
ABCG2 Q9UNQ0 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL9935406 0.89 HPGD (0.60) HPGDSNCATRPV1
SCHEMBL25424689 0.89 HPGD (0.59) HPGDSNCAABCG2MTNR1AMTNR1B
SCHEMBL15345910 0.86 HPGD (0.58) HPGDSNCA
SCHEMBL9937673 0.83 SNCA (0.70) SNCA
SCHEMBL9938785 0.80 SNCA (0.69) SNCA
SCHEMBL9883644 0.79 SNCA (0.52) HPGDSNCAMTNR1AMTNR1B
SCHEMBL9883529 0.77 SNCA (0.51) HPGDSNCAMTNR1AMTNR1B
SCHEMBL15345946 0.75 SNCA (0.59) SNCAMTNR1AMTNR1BTRPV1
SCHEMBL9935560 0.75 SNCA (0.83) SNCATRPV1
SCHEMBL9883534 0.75 SNCA (0.48) HPGDSNCAABCG2MTNR1AMTNR1B

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
WO-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed