SCHEMBL9537124

SCHEMBL9537124

O=c1[nH]c2ccccc2n1CCCN1CCC(Oc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
P2RX7 Q99572 1/20 0.48
HTR1A P08908 3/20 0.47
HRH1 P35367 3/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
DRD3 P35462 2/20 0.47
KCNH2 Q12809 2/20 0.47
SSTR5 P35346 2/20 0.47
MEN1 O00255 1/20 0.47
SLC22A2 O15244 1/20 0.47
NR1I2 O75469 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47

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
SCHEMBL10550542 0.87 SLC18A2 (0.55) LMNAHTR1AHRH1DRD2HTR2A
SCHEMBL11480631 0.84 SSTR5 (0.69) LMNAHTR1AHRH1DRD2HTR2A
SCHEMBL9696448 0.83 P2RX7 (0.48) LMNAP2RX7HTR1AHRH1DRD2
SCHEMBL9536075 0.82 HRH1 (0.62) LMNAHTR1AHRH1DRD2HTR2A
SCHEMBL9536278 0.78 SSTR5 (0.49) LMNAHTR1AHRH1DRD2HTR2A
Hydrochloric Acid SCHEMBL11473528 0.78 SSTR5 (0.53) LMNAHTR1AHRH1DRD2HTR2A
SCHEMBL1152886 0.78 LMNA (0.60) LMNAP2RX7HTR1AHRH1DRD2
SCHEMBL11499340 0.77 SSTR5 (0.61) LMNAP2RX7HTR1AHRH1DRD2
SCHEMBL11473337 0.77 SSTR5 (0.57) LMNAHTR1AHRH1DRD2HTR2A
SCHEMBL10546931 0.77 GRIN1 (0.47) LMNAP2RX7HTR1AHRH1DRD2

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 5 patents. 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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed