SCHEMBL7215446

SCHEMBL7215446

Cc1cccc2[nH]c(C3CCNCC3)nc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.61
HTR2C P28335 4/20 0.47
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
PARP2 Q9UGN5 2/20 0.44
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43

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
SCHEMBL4374769 0.91 ALDH1A1 (0.53) PARP1PDE10AALDH1A1POLBMAPT
SCHEMBL742067 0.83 PARP1 (0.65) PARP1PDE10APARP2
SCHEMBL742068 0.83 PARP1 (0.65) PARP1PDE10APARP2
SCHEMBL6129581 0.82 PARP1 (0.65) PARP1ALDH1A1POLBMAPTHPGD
SCHEMBL7956612 0.81 PARP1 (0.57) PARP1HTR2CALDH1A1POLBMAPT
SCHEMBL6645588 0.80 PARP1 (0.56) PARP1PARP2
SCHEMBL7521358 0.79 MGAM (0.53) PARP1PDE10AALDH1A1POLBMAPT
SCHEMBL7966174 0.78 PARP1 (0.54) PARP1PARP2
SCHEMBL7965941 0.78 PARP1 (0.54) PARP1HTR2CALDH1A1POLBMAPT
SCHEMBL7524606 0.78 ALDH1A1 (0.45) PARP1PDE10AALDH1A1POLBMAPT

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
US-6660751-B1 Sulfonamide derivatives as 5-HT7 receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2003-12-09 US disclosed
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed