SCHEMBL8551217

SCHEMBL8551217

CCN(C(N)=O)c1ccc2sc(C)c(CCN(C)CCc3ccncc3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.37
NPY5R Q15761 1/20 0.34
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
QPCT Q16769 2/20 0.30
CHRM4 P08173 1/20 0.30
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
HDAC1 Q13547 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
SCHEMBL8553337 0.90 GNRHR (0.34) GNRHRNPY5RKDM4ESMN1; SMN2QPCT
SCHEMBL8549069 0.82 GNRHR (0.38) GNRHRNPY5RKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7145976 0.81 GNRHR (0.48) GNRHRSMN1; SMN2ALDH1A1LMNATDP1
Malonic Acid SCHEMBL8552650 0.74 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2LMNAHPGDTSHR
SCHEMBL8552137 0.73 GNRHR (0.34) GNRHRNPY5RKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8551891 0.72 HTR1F (0.49) KDM4ESMN1; SMN2ALDH1A1TDP1HDAC1
SCHEMBL7144826 0.71 MAPT (0.45) GNRHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29723856 0.65 MLYCD (0.46) KDM4EALDH1A1LMNATSHRCDC7
SCHEMBL7014859 0.65 NPY5R (0.38) NPY5RKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL7973811 0.63 LOXL2 (0.44) KDM4ESMN1; SMN2ALDH1A1TSHR

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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed