SCHEMBL27510950

SCHEMBL27510950

CC(CC(=N)CCNc1ccccn1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 11/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ITGB3 P05106 2/20 0.36
▸ ITGAV P06756 2/20 0.36
▸ KDR P35968 1/20 0.35

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
SCHEMBL27494526 0.93 ALDH1A1 (0.42) TDO2MAPTALDH1A1LMNAITGB3
SCHEMBL27524768 0.86 GUSB (0.37) MAPTALDH1A1LMNAITGB3ITGAV
SCHEMBL27495316 0.84 TDO2 (0.42) TDO2MAPTALDH1A1LMNA
SCHEMBL27511350 0.83 TDO2 (0.37) TDO2MAPT
SCHEMBL28741367 0.81 GUSB (0.37) ALDH1A1LMNA
SCHEMBL27495706 0.77 LMNA (0.42) MAPTALDH1A1LMNAKDR
SCHEMBL27510621 0.75 ITGB3 (0.48) ALDH1A1LMNAITGB3ITGAV
SCHEMBL27495702 0.75 DRD2 (0.42) ALDH1A1ITGB3ITGAV
SCHEMBL27494111 0.75 DRD2 (0.42) ALDH1A1ITGB3ITGAV
SCHEMBL27492956 0.75 DRD2 (0.42) ALDH1A1ITGB3ITGAV

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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