SCHEMBL900285

SCHEMBL900285

Clc1ccnc2ccccc12.O=C(O)N1C[C@@H]2C[C@H]1CN2c1ccnc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SLC6A7 Q99884 1/20 0.37
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
AKT1 P31749 1/20 0.36
TACR1 P25103 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDGFRB P09619 1/20 0.35
DPP4 P27487 1/20 0.35
EIF4A3 P38919 1/20 0.35
CCR3 P51677 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PREP P48147 1/20 0.34

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
SCHEMBL900100 0.93 CHRM1 (0.43) CHRM1HCRTR1HCRTR2SLC6A7ADRB2
SCHEMBL900242 0.74 CHRM1 (0.39) CHRM1HCRTR1HCRTR2ADRB2NCF1
SCHEMBL900240 0.74 CHRM1 (0.39) CHRM1HCRTR1HCRTR2ADRB2NCF1
SCHEMBL15159474 0.74 CHRM1 (0.39) CHRM1HCRTR1HCRTR2ADRB2NCF1
SCHEMBL27589814 0.71 MAPT (0.47) NCF1KDM4EALDH1A1GAAHTT
SCHEMBL4823374 0.70 PBRM1 (0.53) CHRM1SLC6A7
SCHEMBL2226606 0.70 PBRM1 (0.53) CHRM1SLC6A7
SCHEMBL15286772 0.69 SLC6A7 (0.39) CHRM1SLC6A7
SCHEMBL11963169 0.69 CCR2 (0.44) CHRM1SLC6A7
Hydrochloric Acid SCHEMBL899503 0.68 BMPR1B (0.50) ADRB2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed