SCHEMBL8995210

SCHEMBL8995210

CCN(CC)CCOc1ccc([C]=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.60
EBP Q15125 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
CYP1A2 P05177 1/20 0.57
LTA4H P09960 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.55
CHRNA7 P36544 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOB P27338 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ACACB O00763 1/20 0.50

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
SCHEMBL9706125 0.87 EBP (0.72) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL5215578 0.82 KDM4E (0.58) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL492266 0.82 MCHR1 (0.60) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL2319666 0.82 MCHR1 (0.60) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL2958271 0.81 HRH3 (0.59) CYP1A2LTA4HCYP2C19HRH3
SCHEMBL5856160 0.81 MCHR1 (0.59) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL6181597 0.80 EBP (0.53) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL3420518 0.79 EBP (0.64) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL2560917 0.79 THRA (0.54) HRH3
SCHEMBL10970158 0.79 MCHR1 (0.91) MCHR1EBPSIGMAR1CYP1A2LTA4H

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
US-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP disclosed