SCHEMBL7735928

SCHEMBL7735928

O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
NPC1 O15118 2/20 0.71
USP2 O75604 1/20 0.71
HPGD P15428 1/20 0.71
MAPT P10636 4/20 0.64
REV1 Q9UBZ9 2/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.61
TSHR P16473 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
ME2 P23368 1/20 0.61
ME1 P48163 1/20 0.61
ME3 Q16798 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 3/20 0.60
KDM4E B2RXH2 3/20 0.59
RAD52 P43351 2/20 0.59

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
SCHEMBL7738147 0.85 ALDH1A1 (0.81) ALDH1A1NPC1USP2HPGDMAPT
SCHEMBL7738167 0.83 ALDH1A1 (1.00) ALDH1A1NPC1USP2HPGDLMNA
SCHEMBL7735766 0.81 SMN1; SMN2 (0.64) ALDH1A1NPC1USP2HPGDMAPT
SCHEMBL13780694 0.80 ALDH1A1 (0.51) ALDH1A1NPC1USP2HPGDMAPT
SCHEMBL7726594 0.79 ALDH1A1 (0.61) ALDH1A1NPC1USP2HPGDLMNA
SCHEMBL7738099 0.78 ALDH1A1 (0.59) ALDH1A1NPC1USP2HPGDLMNA
SCHEMBL3305614 0.77 ALDH1A1 (0.61) ALDH1A1NPC1USP2HPGDLMNA
SCHEMBL8140676 0.77 ALDH1A1 (0.58) ALDH1A1NPC1USP2HPGDMAPT
SCHEMBL7735984 0.77 ALDH1A1 (0.67) ALDH1A1NPC1USP2HPGDMAPT
SCHEMBL17730978 0.76 DRD2 (0.68) ALDH1A1NPC1USP2HPGDMAPT

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
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed