SCHEMBL2817332

SCHEMBL2817332

O=C([C@@H]1C[C@H](NCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.53
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 6/20 0.48
HTT P42858 3/20 0.48
POLB P06746 4/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL2820740 0.94 CHRM4 (0.46) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2818101 0.92 CHRM4 (0.52) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3638063 0.92 CHRM4 (0.52) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2819008 0.85 CHRM4 (0.48) CHRM4DRD2DRD3
SCHEMBL2818348 0.85 CHRM4 (0.44) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2818426 0.83 CHRM4 (0.49) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2817087 0.83 CHRM4 (0.49) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3638622 0.81 CHRM4 (0.47) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2817106 0.81 CHRM4 (0.47) CHRM4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2817216 0.79 SIGMAR1 (0.48) SIGMAR1USP2

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
EP-2155672-B1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-10-27 EP claimed