SCHEMBL27978705

SCHEMBL27978705

Cc1sc(-c2ccccc2)c(N2CCC(CN(C)C3CCN(C)C3)CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.41
▸ SLC6A2 P23975 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ MAPK8 P45983 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MRGPRX2 Q96LB1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17783841 0.69 MEN1 (0.44) —
SCHEMBL28087528 0.69 HTR2A (0.41) MCHR1HTR2AHTR2C
SCHEMBL16293345 0.68 — —
SCHEMBL3574974 0.68 MAPT (0.46) MCHR1HRH3KDM4E
SCHEMBL14970182 0.67 SMN1; SMN2 (0.47) —
SCHEMBL3566234 0.67 MCHR1 (0.60) MCHR1
SCHEMBL16293975 0.66 POLB (0.61) —
SCHEMBL26617983 0.65 KDM4E (0.57) MCHR1SLC6A2KDM4E
SCHEMBL23603454 0.64 SIGMAR1 (0.38) MCHR1SLC6A2KDM4E
SCHEMBL10202213 0.63 NCF1 (0.46) HTR2AHTR2CKDM4E

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
CN-104011054-A Thieno- and furo-pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LTD 2014-08-27 — — CN disclosed
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