SCHEMBL5203731

SCHEMBL5203731

C=CCn1cc(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3C)C2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
PROKR1 Q8TCW9 2/20 0.40
HSD11B1 P28845 3/20 0.39
CNR1 P21554 2/20 0.38
TPSAB1 Q15661 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RBP4 P02753 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SLC2A1 P11166 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL5203872 0.88 TPSAB1 (0.48) PDE2APROKR1CNR1TPSAB1ALDH1A1
SCHEMBL5202357 0.85 SLC2A1 (0.55) PROKR1HSD11B1TPSAB1ALDH1A1SMN1; SMN2
SCHEMBL5201910 0.78 NPC1 (0.42) CNR1
SCHEMBL4858356 0.75 CREBBP (0.42) HSD11B1CNR1ALDH1A1
SCHEMBL5202510 0.74 HSD11B1 (0.55) PROKR1HSD11B1CNR1TPSAB1ALDH1A1
SCHEMBL5204238 0.72 HSD11B1 (0.47) HSD11B1ALDH1A1SMN1; SMN2SLC2A1
SCHEMBL5206419 0.72 SMN1; SMN2 (0.49) PROKR1HSD11B1CNR1TPSAB1ALDH1A1
SCHEMBL5204533 0.72 ALDH1A1 (0.46) PROKR1HSD11B1TPSAB1ALDH1A1SMN1; SMN2
SCHEMBL5202100 0.72 ALDH1A1 (0.51) PDE2APROKR1HSD11B1CNR1TPSAB1
SCHEMBL5204500 0.71 TPSAB1 (0.47) PROKR1CNR1TPSAB1ALDH1A1SMN1; SMN2

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