SCHEMBL7142948

SCHEMBL7142948

CCOC(=O)N1CCC(=C2c3cc(Cl)ccc3CCn3ncnc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.55
SLC6A15 Q9H2J7 9/20 0.55
MAPT P10636 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
CACNA1F O60840 1/20 0.55
NR1I2 O75469 1/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CHRM2 P08172 1/20 0.55
ABCB1 P08183 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL7136762 0.86 HRH1 (0.64) HRH1SLC6A15MAPTTSHRSMN1; SMN2
SCHEMBL7174262 0.83 PTAFR (0.43) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL7141837 0.82 HRH1 (0.50) HRH1SLC6A15MAPTTSHRSMN1; SMN2
SCHEMBL8207652 0.79 HRH1 (0.45) HRH1SLC6A15MAPTTSHRSMN1; SMN2
SCHEMBL9282274 0.78 HRH1 (0.49) HRH1SLC6A15MAPTTSHRSMN1; SMN2
SCHEMBL7138938 0.78 HRH1 (0.42) HRH1MEN1LMNACHRM2ABCB1
Water SCHEMBL8200822 0.77 HRH1 (0.44) HRH1SLC6A15MAPTTSHRSMN1; SMN2
SCHEMBL6990866 0.77 SLC6A15 (0.67) HRH1SLC6A15MAPTTSHRSMN1; SMN2
SCHEMBL6990048 0.74 HRH1 (0.52) HRH1SLC6A15MAPTTSHRSMN1; SMN2
SCHEMBL7136275 0.72 GABRG2 (0.41) HTR2AHTR2BGABRG2GABRB3GABRA5

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
EP-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed
EP-0675887-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013671-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed