SCHEMBL11201448

SCHEMBL11201448

O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.83
LMNA P02545 3/20 0.83
DRD2 P14416 3/20 0.83
DRD3 P35462 3/20 0.83
MEN1 O00255 2/20 0.83
NR1I2 O75469 2/20 0.83
CYP1A2 P05177 2/20 0.83
CYP3A4 P08684 2/20 0.83
ADORA3 P0DMS8 2/20 0.83
CYP2D6 P10635 2/20 0.83
ADRA2C P18825 2/20 0.83
SLC6A2 P23975 2/20 0.83
HTR2A P28223 2/20 0.83
HTR2C P28335 2/20 0.83
SLC6A4 P31645 2/20 0.83
ADRA1A P35348 2/20 0.83
HRH1 P35367 2/20 0.83
OPRM1 P35372 2/20 0.83
OPRK1 P41145 2/20 0.83
PMP22 Q01453 2/20 0.83

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
SCHEMBL11191456 0.98 P2RX7 (0.88) P2RX7LMNADRD2DRD3MEN1
SCHEMBL11198695 0.92 P2RX7 (0.71) P2RX7LMNADRD2DRD3MEN1
Oxatomide SCHEMBL29484467 0.91 P2RX7 (1.00) P2RX7LMNADRD2DRD3MEN1
Oxatomide SCHEMBL28824 0.91 P2RX7 (1.00) P2RX7LMNADRD2DRD3MEN1
SCHEMBL11195603 0.91 CYP3A4 (0.72) P2RX7LMNADRD2DRD3MEN1
SCHEMBL11194256 0.90 P2RX7 (0.68) P2RX7LMNADRD2DRD3MEN1
Oxatomide SCHEMBL8693571 0.90 P2RX7 (0.98) P2RX7LMNADRD2DRD3MEN1
Oxatomide SCHEMBL7558760 0.90 P2RX7 (0.98) P2RX7LMNADRD2DRD3MEN1
Oxatomide SCHEMBL8693540 0.90 P2RX7 (0.98) P2RX7LMNADRD2DRD3MEN1
Oxatomide SCHEMBL11472510 0.90 P2RX7 (0.98) P2RX7LMNADRD2DRD3MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed