SCHEMBL8734802

SCHEMBL8734802

Cc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
TPH1 P17752 1/20 0.32
SYK P43405 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
TSHR P16473 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8984978 0.90 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL9292263 0.90 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL7030028 0.88 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL9301147 0.82 SYK (0.33) HTR7SYKKMT2AALDH1A1HTT
SCHEMBL117903 0.81 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL9066890 0.81 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL22188696 0.81 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL29352185 0.81 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL8368006 0.81 IDH1 (0.32) HTR7ADRA1DADRA1AADRA1BSYK
Bromomethane SCHEMBL3305907 0.80 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BTPH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10087402-A None JP disclosed
JP-9301808-A None JP disclosed
JP-H1087402-A COMPOSITION OF HERBICIDE IDEMITSU KOSAN CO LTD 1998-04-07 JP disclosed
JP-H09301808-A HERBICIDE COMPOSITION IDEMITSU KOSAN CO LTD 1997-11-25 JP disclosed