SCHEMBL7643296

SCHEMBL7643296

O=C(O)CN1CCN(c2c[c]ccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
S1PR1 P21453 1/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6301694 0.82 MAPT (0.72) MAPTALDH1A1S1PR1POLBGFER
Hydrochloric Acid SCHEMBL1374296 0.80 MAPT (0.70) MAPTALDH1A1S1PR1POLBGFER
SCHEMBL1443053 0.78 LMNA (0.47) MAPTALDH1A1POLBHTR1AMEN1
SCHEMBL29005764 0.78 KCNH2 (0.45) MAPTHTR1AHTR7NPSR1MEN1
SCHEMBL4222683 0.78 CHRNA7 (0.62) MAPTGFERMEN1KMT2ASMN1; SMN2
SCHEMBL4233743 0.77 DRD4 (0.70) MAPTALDH1A1HTR1AHTR7NPSR1
SCHEMBL27752813 0.75 DRD2 (0.51) HTR1A
SCHEMBL27581509 0.75 DRD2 (0.65) HTR1A
SCHEMBL6313537 0.75 NOTUM (0.57) MAPTPOLBKMT2A
SCHEMBL27768320 0.75 GFER (0.53) MAPTALDH1A1GFERMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN claimed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed