SCHEMBL11524342

SCHEMBL11524342

CCOc1cccc(C2=CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.56
SIGMAR1 Q99720 2/20 0.54
QDPR P09417 3/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
INPPL1 O15357 1/20 0.43
HTR6 P50406 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43

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
SCHEMBL6590672 0.87 QDPR (0.54) HTR2CSIGMAR1QDPRTLR9TLR7
SCHEMBL7394377 0.84 HTR2C (0.60) HTR2CSIGMAR1QDPRKDM4EMAPT
Hydrochloric Acid SCHEMBL4789235 0.82 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EMAPT
SCHEMBL7479570 0.82 HTR2C (0.52) HTR2CSIGMAR1QDPRTLR9TLR7
SCHEMBL5464711 0.79 NPC1 (0.50) MAPTTDP1
SCHEMBL15649593 0.77 ADRA2A (0.47) HTR2CKDM4EGAAMAPTTHRB
SCHEMBL6278676 0.75 HTR2C (0.57) HTR2CSIGMAR1QDPRHTR6
SCHEMBL14704745 0.75 QDPR (0.51) HTR2CSIGMAR1QDPRKDM4EGAA
SCHEMBL30431801 0.75 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6
SCHEMBL4790435 0.75 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6

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-4166853-A Antihypertensive 7-trifluoromethyl-4-aminoquinolones THE UPJOHN COMPANY (US) 1979-09-04 US disclosed