SCHEMBL5202168

SCHEMBL5202168

CCn1cc(C2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)C2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.47
TPSAB1 Q15661 1/20 0.44
RBP4 P02753 4/20 0.43
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH2 P25021 2/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL5204533 0.86 ALDH1A1 (0.46) PROKR1TPSAB1RBP4ALDH1A1SMN1; SMN2
SCHEMBL5203757 0.86 NPC1 (0.57) TPSAB1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4862667 0.83 TSHR (0.47) PROKR1TPSAB1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5206419 0.80 SMN1; SMN2 (0.49) PROKR1TPSAB1RBP4ALDH1A1SMN1; SMN2
SCHEMBL4853409 0.80 SLC2A1 (0.50) ALDH1A1NPC1RAB9AATMKMT2A
SCHEMBL4860093 0.79 ALDH1A1 (0.45) PROKR1TPSAB1RBP4ALDH1A1SMN1; SMN2
SCHEMBL5204500 0.78 TPSAB1 (0.47) PROKR1TPSAB1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5203268 0.77 GAA (0.48) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5202510 0.77 HSD11B1 (0.55) PROKR1TPSAB1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4853030 0.76 HDAC3 (0.46) RBP4ALDH1A1SMN1; SMN2HRH2SLC2A1

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-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed