SCHEMBL8040198

SCHEMBL8040198

O=C(c1ccc(Cl)cc1)c1ccc(OC2CN3CCC2CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 1.00
GLA P06280 1/20 0.65
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TSHR P16473 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ALOX15 P16050 1/20 0.51
CHRNA7 P36544 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
Hydrochloric Acid SCHEMBL8988213 0.99 LSS (0.97) LSSGLANPC1RAB9ATSHR
SCHEMBL3215158 0.89 LSS (0.78) LSSGLANPC1RAB9ATSHR
SCHEMBL3215152 0.89 LSS (0.78) LSSGLANPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL9469303 0.87 LSS (0.76) LSSGLANPC1RAB9ATSHR
SCHEMBL8029531 0.81 LSS (0.68) LSSGLANPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL9469746 0.81 LSS (0.67) LSSGLATSHRRXFP1
SCHEMBL9707102 0.81 LSS (0.67) LSSGLANPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL8988468 0.80 LSS (0.66) LSSGLANPC1RAB9ATSHR
SCHEMBL5651187 0.76 LSS (0.61) LSSCHRNA7
SCHEMBL5390772 0.76 LSS (0.60) LSSCHRNA7

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
WO-2000076316-A1 METHODS RELATED TO METABOLISM OF PARASITES AND MYCOBACTERIA UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-12-21 WO disclosed