SCHEMBL28833477

SCHEMBL28833477

Fc1ccc2c(ccn2CCCBr)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
P2RX7 Q99572 2/20 0.51
CDK4 P11802 7/20 0.50
CCND1 P24385 7/20 0.50
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
SCN9A Q15858 1/20 0.43
PRMT5 O14744 1/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL30202125 0.95 P2RX7 (0.53) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL5791630 0.95 P2RX7 (0.53) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL5638243 0.83 CDK4 (0.53) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL18856954 0.83 HTR2C (0.56) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL18856949 0.82 HTR2A (0.55) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL5792293 0.82 P2RX7 (0.53) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL9231907 0.81 HTR2A (0.54) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL5991839 0.81 HTR2C (0.54) HTR2AHTR2CP2RX7CDK4CCND1
SCHEMBL14274534 0.80 PLG (0.49) HTR2AHTR2CCDK4CCND1PLG
SCHEMBL22930089 0.80 HTR2C (0.60) HTR2AHTR2CP2RX7CDK4CCND1

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-103977004-B The medicinal usage of indole piperazine derivative 复旦大学 2016-08-10 CN disclosed