SCHEMBL9847880

SCHEMBL9847880

CC(=O)N1CCN(c2cc(N(C(C)=O)C3CC3)ccc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 2/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
RORC P51449 11/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.39

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
SCHEMBL10378209 0.76 MAPT (0.44) GPR174ALDH1A1MAPTRORCKDM4E
SCHEMBL10375746 0.73 GFER (0.58) GPR174ALDH1A1MAPTKDM4ETP53
SCHEMBL9847870 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKDM4E
SCHEMBL13453977 0.70 SMN1; SMN2 (0.69) ALDH1A1MAPTKDM4E
SCHEMBL9523467 0.68 ALDH1A1 (0.44) GPR174ALDH1A1MAPTKDM4ETP53
SCHEMBL18711276 0.67 TP53 (0.56) GPR174ALDH1A1MAPTTP53
SCHEMBL9437309 0.67 ACACB (0.39) RORC
SCHEMBL13419194 0.66 MAPT (0.54) GPR174ALDH1A1MAPT
SCHEMBL29002632 0.66 CHRM2 (0.48) MAPTKDM4E
SCHEMBL31485198 0.65 ALDH1A1 (0.64) GPR174ALDH1A1MAPTKDM4E

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-0430847-A1 Procedure for the preparation of N-cyclopropyl-4-fluoroanilines CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) 1991-06-05 EP disclosed