SCHEMBL9847904

SCHEMBL9847904

Cc1c(N)c(N(C(=O)CF)C2CC2)cc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.40
OPRM1 P35372 3/20 0.33
TACR1 P25103 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.31
S1PR1 P21453 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL9847873 0.78 HSD11B1 (0.33) HSD11B1OPRM1TACR1SLC6A4SLC6A2
SCHEMBL9847824 0.68 SMN1; SMN2 (0.42) HSD11B1OPRM1TACR1SLC6A4SLC6A2
SCHEMBL9847902 0.64 LMNA (0.33) OPRM1S1PR1
SCHEMBL9847843 0.64 LMNA (0.38) HSD11B1OPRM1SLC6A4S1PR1
SCHEMBL195077 0.63 KDM4E (0.46)
SCHEMBL21186738 0.62 ALDH1A1 (0.40) SLC6A4SLC6A2
SCHEMBL14126884 0.61 ALDH1A1 (0.32)
SCHEMBL16044935 0.61 CA1 (0.38)
SCHEMBL9847891 0.61 KDM4E (0.34) TACR1SLC6A4SLC6A2
SCHEMBL21481794 0.60 GAA (0.50)

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