SCHEMBL11304567

SCHEMBL11304567

COc1cccc(CC(Br)NC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.53
MTNR1B P49286 11/20 0.53
TAAR1 Q96RJ0 2/20 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
SCHEMBL27922345 0.84 MTNR1A (0.66) MTNR1AMTNR1BTAAR1
SCHEMBL28244453 0.84 MTNR1A (0.66) MTNR1AMTNR1BTAAR1
SCHEMBL3152909 0.83 CACNA1B (0.51) TAAR1
SCHEMBL6139248 0.82 POLB (0.61) MTNR1AMTNR1BTAAR1
SCHEMBL30082808 0.82 POLB (0.61) MTNR1AMTNR1BTAAR1
SCHEMBL29676287 0.82 MTNR1A (0.52) MTNR1AMTNR1BTAAR1
SCHEMBL29676431 0.82 MTNR1A (0.52) MTNR1AMTNR1BTAAR1
SCHEMBL14335167 0.80 MTNR1A (0.53) MTNR1AMTNR1BTAAR1
SCHEMBL7427734 0.79 MTNR1A (0.49) MTNR1AMTNR1BTAAR1
SCHEMBL11300831 0.78 LDHA (0.59)

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
JP-56128756-A None JP disclosed
JP-S56128756-A PREPARATION OF INDOLE DERIVATIVE SENDAI FUKUSOKAN KAGAKU KENKYUSHO 1981-10-08 JP disclosed