SCHEMBL11304565

SCHEMBL11304565

COc1ccc(Br)c(CCNC(C)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.66
MTNR1B P49286 14/20 0.66
HTR2B P41595 2/20 0.60
HTR2C P28335 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
NQO2 P16083 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A1 P04798 1/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL2795344 0.85 MTNR1A (0.49) MTNR1AMTNR1BSMN1; SMN2KMT2A
SCHEMBL30080255 0.85 MTNR1A (0.53) MTNR1AMTNR1BHTR2BHTR2CSMN1; SMN2
SCHEMBL18183442 0.84 MTNR1B (0.84) MTNR1AMTNR1BHTR2BHTR2C
SCHEMBL3152901 0.82 MTNR1A (0.48) MTNR1AMTNR1BSMN1; SMN2NQO2KDM4E
SCHEMBL13673154 0.82 MTNR1A (0.62) MTNR1AMTNR1BHTR2BHTR2CSMN1; SMN2
SCHEMBL534135 0.79 SMN1; SMN2 (0.70) MTNR1AMTNR1BSMN1; SMN2KDM4ECYP1A2
SCHEMBL31627780 0.79 MTNR1A (0.57) MTNR1AMTNR1BNOTUM
SCHEMBL16294203 0.79 POLB (0.48) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL534533 0.79 MTNR1A (0.57) MTNR1AMTNR1BNOTUM
SCHEMBL7551792 0.79 ADRA1A (0.48) HTR2CHTR1A

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