SCHEMBL9536111

SCHEMBL9536111

CCOCCn1c(CC2CCN(CCNc3nc4cnccc4[nH]3)CC2)nc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.44
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 4/20 0.36
HRH1 P35367 5/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 1/20 0.34
HTR4 Q13639 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
Fumaric Acid SCHEMBL10383229 0.94 SLC6A9 (0.41) SLC6A9TSHRKDM4ELMNASMN1; SMN2
SCHEMBL9636352 0.90 SLC6A9 (0.55) SLC6A9TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL9535432 0.85 TP53 (0.40) SLC6A9TSHRLMNA
SCHEMBL9537795 0.85 TSHR (0.41) SLC6A9TSHRKDM4ESMN1; SMN2HRH1
SCHEMBL9537396 0.84 SLC6A9 (0.48) SLC6A9TSHRLMNA
SCHEMBL9536208 0.83 SLC6A9 (0.41) SLC6A9TSHRKDM4ELMNAMEN1
SCHEMBL9536927 0.83 SLC6A9 (0.56) SLC6A9TSHR
SCHEMBL10803216 0.82 SLC6A9 (0.40) SLC6A9TSHRHTR1AHTR1DHTR1B
Fumaric Acid SCHEMBL10382851 0.81 SLC6A9 (0.37) SLC6A9TSHRHRH1MEN1KMT2A
Oxalic Acid SCHEMBL9535391 0.80 SLC6A9 (0.47) SLC6A9KDM4ELMNASMN1; SMN2HRH1

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed