SCHEMBL8242532

SCHEMBL8242532

CC[C@@H](C)c1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.45
FPR2 P25090 1/20 0.40
TSHR P16473 1/20 0.38
PDE2A O00408 2/20 0.38
RORC P51449 1/20 0.36
DGAT1 O75907 1/20 0.35
PYCR1 P32322 1/20 0.35
ACACB O00763 1/20 0.35
OPRM1 P35372 1/20 0.34
BCAT2 O15382 2/20 0.33
KDM1A O60341 1/20 0.33
KDM1B Q8NB78 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL26161883 1.00 APLNR (0.45) APLNRFPR2TSHRPDE2ARORC
SCHEMBL15235824 0.85 TSHR (0.38) APLNRFPR2TSHRRORCDGAT1
SCHEMBL29784759 0.83 APLNR (0.48) APLNRPDE2ADGAT1KDM1AKDM1B
SCHEMBL15092400 0.83 APLNR (0.44) APLNRFPR2PDE2ADGAT1PYCR1
SCHEMBL2879129 0.83 APLNR (0.44) APLNRFPR2PDE2ADGAT1PYCR1
SCHEMBL18839718 0.83 APLNR (0.48) APLNRPDE2ADGAT1KDM1AKDM1B
SCHEMBL12267174 0.83 APLNR (0.44) APLNRFPR2PDE2ADGAT1PYCR1
SCHEMBL12278795 0.80 APLNR (0.49) APLNRDGAT1PYCR1ACACBOPRM1
SCHEMBL12686652 0.80 MC4R (0.41) TSHRPDE2ARORC
SCHEMBL12686634 0.80 MC4R (0.41) TSHRPDE2ARORC

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-2007050576-A2 A METHOD OF PREPARING A 4-OXO-1- (3 SUBSTITUTED PHENYL) -1, 4-DIHYDRO-1, 8-NAPHTHYRIDINE-3- CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITOR MERCK & CO., INC. (US) 2007-05-03 WO disclosed