SCHEMBL9540474

SCHEMBL9540474

O=C(O)c1csc(NCCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.46
MCHR1 Q99705 1/20 0.44
KCNH2 Q12809 3/20 0.44
NR4A2 P43354 1/20 0.44
HRH1 P35367 3/20 0.43
TP53 P04637 1/20 0.43
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
Oxalic Acid SCHEMBL10551011 0.96 TP53 (0.44) SSTR5MCHR1KCNH2NR4A2HRH1
SCHEMBL9539265 0.90 HRH1 (0.43) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL10798151 0.89 TP53 (0.46) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL10798146 0.89 TP53 (0.46) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL9537634 0.89 MCHR1 (0.42) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL9537639 0.89 MCHR1 (0.42) SSTR5MCHR1KCNH2NR4A2HRH1
SCHEMBL10551189 0.88 SSTR5 (0.47) SSTR5KCNH2NR4A2HRH1TP53
SCHEMBL10550679 0.87 RAB9A (0.46) SSTR5MCHR1KCNH2NR4A2HRH1
SCHEMBL9539913 0.84 RAB9A (0.45) SSTR5MCHR1KCNH2NR4A2HRH1
Oxalic Acid SCHEMBL10552513 0.82 SSTR5 (0.51) SSTR5MCHR1KCNH2NR4A2HRH1

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed