SCHEMBL8585451

SCHEMBL8585451

CCN1CC=C(c2c[nH]c(N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTR6 P50406 2/20 0.41
HTR1F P30939 1/20 0.38
DRD4 P21917 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8584852 0.80 QDPR (0.50) ALOX15KDM4ELMNAHTR6HTR1A
SCHEMBL8583003 0.78 SIGMAR1 (0.52) DRD4CYP3A4TSHRTDP1HTR1A
SCHEMBL14385616 0.76 DRD4 (0.50) ALOX15KDM4ELMNAHTR6DRD4
SCHEMBL10241131 0.73 KDM4E (0.56) ALOX15KDM4ELMNADRD4HTR1A
SCHEMBL14144244 0.73 SIGMAR1 (0.54) ALOX15KDM4ELMNAHTR6DRD4
SCHEMBL8610238 0.72 HTR1F (0.42) ALOX15KDM4ELMNAHTR6HTR1F
SCHEMBL25124915 0.70 SIGMAR1 (0.55) ALOX15KDM4ELMNAHTR6DRD4
SCHEMBL7910148 0.70 NPSR1 (0.60) ALOX15KDM4ELMNATDP1DRD2
SCHEMBL10241118 0.70 SIGMAR1 (0.57) HTR6TDP1HTR1ADRD2
SCHEMBL2934369 0.70 KDM4E (0.70) ALOX15KDM4ELMNAHTR1ADRD2

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
WO-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed