SCHEMBL9539265

SCHEMBL9539265

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
MCHR1 Q99705 2/20 0.43
TACR2 P21452 2/20 0.43
TACR1 P25103 2/20 0.43
RAB9A P51151 1/20 0.42
TP53 P04637 2/20 0.42
CYP2D6 P10635 3/20 0.42
KCNH2 Q12809 4/20 0.41
SSTR5 P35346 3/20 0.41
MEN1 O00255 1/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
EED O75530 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
HLA-A P04439 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP1A2 P05177 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 SCHEMBL9537639 0.98 MCHR1 (0.42) HRH1MCHR1TACR2TACR1RAB9A
Oxalic Acid SCHEMBL9537634 0.98 MCHR1 (0.42) HRH1MCHR1TACR2TACR1RAB9A
SCHEMBL9540474 0.90 SSTR5 (0.46) HRH1MCHR1TACR2TACR1RAB9A
Oxalic Acid SCHEMBL10551011 0.88 TP53 (0.44) HRH1MCHR1TACR2TACR1RAB9A
Oxalic Acid SCHEMBL10798151 0.87 TP53 (0.46) HRH1MCHR1TACR2TACR1RAB9A
Oxalic Acid SCHEMBL10798146 0.87 TP53 (0.46) HRH1MCHR1TACR2TACR1RAB9A
SCHEMBL10550679 0.87 RAB9A (0.46) HRH1MCHR1TACR2TACR1RAB9A
SCHEMBL10551189 0.82 SSTR5 (0.47) HRH1TACR2TACR1RAB9ATP53
SCHEMBL9539913 0.80 RAB9A (0.45) HRH1MCHR1TACR2TACR1RAB9A
SCHEMBL9540155 0.79 RAB9A (0.53) HRH1TACR2TACR1RAB9ATP53

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