SCHEMBL27495704

SCHEMBL27495704

CC(CC(=N)CC(=O)Nc1ccc(F)cc1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 8/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL27509165 0.92 MPO (0.41) TDO2IDO1MAPTALDH1A1MEN1
SCHEMBL27510230 0.89 THRB (0.40) TDO2IDO1MAPTALDH1A1RORC
SCHEMBL27493350 0.83 RORC (0.41) MAPTALDH1A1RORCGUSB
SCHEMBL27495316 0.83 TDO2 (0.42) TDO2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL27524772 0.79 GPR84 (0.42) TDO2MEN1KMT2ANR3C1
SCHEMBL27511350 0.76 TDO2 (0.37) TDO2MAPTNR3C1GUSBSMN1; SMN2
SCHEMBL27510617 0.76 HASPIN (0.46) MAPTALDH1A1MEN1KMT2ARORC
SCHEMBL27495706 0.75 LMNA (0.42) MAPTALDH1A1GUSBLMNASMN1; SMN2
SCHEMBL28741350 0.71 ALDH1A1 (0.37) TDO2ALDH1A1KMT2ANR3C1LMNA
SCHEMBL27563843 0.70 SMN1; SMN2 (0.50) MAPTALDH1A1MEN1KMT2AL3MBTL1

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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 — — CN disclosed
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