SCHEMBL6745101

SCHEMBL6745101

COc1ccc(Br)cc1CSc1nc2ccccc2nc1C(N)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MC4R P32245 7/20 0.36
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
LMNA P02545 1/20 0.34
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4825382 0.80 MC4R (0.38) SMN1; SMN2MC4RTSHRLMNA
SCHEMBL6745107 0.78 TRIM58 (0.40) TACR1MC4RTSHR
SCHEMBL4555811 0.76 CHEK2 (0.45) TACR1MC4R
SCHEMBL4823017 0.76 MAPT (0.46) SMN1; SMN2MC4RMAPT
Formic Acid SCHEMBL4819224 0.76 TSHR (0.36) TACR1SMN1; SMN2MC4RKCNH2TSHR
Formic Acid SCHEMBL4819237 0.74 MC4R (0.39) TACR1SMN1; SMN2MC4RTSHR
SCHEMBL4819232 0.74 MC4R (0.39) TACR1SMN1; SMN2MC4RKCNH2TSHR
SCHEMBL4816428 0.74 MAPT (0.46) SMN1; SMN2TSHRMAPT
SCHEMBL4369319 0.72 GAA (0.43) SMN1; SMN2TSHRMAPT
SCHEMBL6745111 0.72 GAA (0.44) SMN1; SMN2TSHRMAPT

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
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed