SCHEMBL7738167

SCHEMBL7738167

O=C(CN1CCOCC1)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
HPGD P15428 4/20 1.00
NPC1 O15118 1/20 1.00
USP2 O75604 1/20 1.00
LMNA P02545 2/20 0.65
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
ALOX15 P16050 1/20 0.62
HRH3 Q9Y5N1 4/20 0.62
EPHX2 P34913 1/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
MAPK1 P28482 1/20 0.57

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 0.89 ALDH1A1 (0.81) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL7735928 0.83 ALDH1A1 (0.71) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL7735984 0.81 ALDH1A1 (0.67) ALDH1A1HPGDNPC1USP2SMN1; SMN2
SCHEMBL9921691 0.79 ATM (0.76) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL12598071 0.79 ALDH1A1 (0.64) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL13025526 0.78 ATM (0.74) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL6555426 0.78 ALDH1A1 (0.80) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL403057 0.78 ATM (0.74) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL3216808 0.78 ATM (0.74) ALDH1A1HPGDNPC1USP2LMNA
SCHEMBL7735766 0.78 SMN1; SMN2 (0.64) ALDH1A1HPGDNPC1USP2SMN1; SMN2

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

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