SCHEMBL28019124

SCHEMBL28019124

Clc1ccc(-n2ccnc2C2CCCCC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.54
ICMT O60725 2/20 0.43
CYP11B2 P19099 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NOTUM Q6P988 1/20 0.39
CNR1 P21554 6/20 0.38
CNR2 P34972 6/20 0.38
GRM2 Q14416 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL28019125 0.99 KCNH2 (0.55) KCNH2ICMTCYP11B2SIGMAR1NOTUM
SCHEMBL28018610 0.96 KCNH2 (0.58) KCNH2ICMTCYP11B2NOTUM
SCHEMBL27736888 0.82 KCNH2 (0.48) KCNH2ICMT
SCHEMBL11264432 0.77 ICMT (0.45) ICMT
SCHEMBL27736887 0.76 KDR (0.43) KCNH2ICMTNOTUM
SCHEMBL27736893 0.75 ICMT (0.46) ICMT
SCHEMBL28779311 0.75 ICMT (0.41) KCNH2ICMT
SCHEMBL25100064 0.74 TNK2 (0.41) ICMTCNR1
SCHEMBL27736899 0.74 ICMT (0.41) KCNH2ICMT
SCHEMBL27837718 0.72 ICMT (0.40) KCNH2ICMT

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
CN-104619323-A A3 adenosine receptor ligands for use in treatment of a sexual dysfunction CAN FITE BIOPHARMA LTD 2015-05-13 CN claimed
CN-104619323-A A3 adenosine receptor ligands for use in treatment of a sexual dysfunction CAN FITE BIOPHARMA LTD 2015-05-13 CN disclosed