SCHEMBL9537447

SCHEMBL9537447

O=C(NCCN1CCC(Oc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.49
PLD2 O14939 1/20 0.49
MAPT P10636 1/20 0.49
HRH1 P35367 2/20 0.48
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48
TP53 P04637 2/20 0.48
KCNH2 Q12809 2/20 0.47
NR4A2 P43354 1/20 0.47
RAB9A P51151 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
CHRM4 P08173 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL10546904 0.89 HRH1 (0.46) SSTR5MAPTHRH1TACR2TACR1
SCHEMBL9536186 0.84 MAPT (0.56) SSTR5MAPTTP53CHRM4CCR3
SCHEMBL9536075 0.84 HRH1 (0.62) SSTR5MAPTHRH1TACR2TACR1
SCHEMBL11485440 0.81 SSTR5 (0.70) SSTR5MAPTHRH1TACR2TACR1
SCHEMBL9536636 0.78 CCR3 (0.65) MAPTTP53KCNH2CCR3
SCHEMBL9536278 0.78 SSTR5 (0.49) SSTR5MAPTHRH1TACR2TACR1
SCHEMBL9535563 0.77 TP53 (0.51) HRH1TACR2TACR1TP53KCNH2
SCHEMBL9537124 0.76 LMNA (0.48) SSTR5HRH1TACR2TACR1KCNH2
SCHEMBL10550542 0.75 SLC18A2 (0.55) SSTR5MAPTHRH1TP53KCNH2
Oxalic Acid SCHEMBL9538011 0.75 PLD2 (0.47) SSTR5PLD2MAPTTP53KCNH2

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 disclosed