SCHEMBL4736640

SCHEMBL4736640

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCCC(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.55
AKR1C1 Q04828 2/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2C19 P33261 1/20 0.53
DPP4 P27487 2/20 0.50
PKLR P30613 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4740396 0.92 LMNA (0.51) AKR1C3AKR1C1LMNASMN1; SMN2CYP2C19
SCHEMBL4736709 0.89 LMNA (0.57) MAPTLMNASMN1; SMN2CYP2C19DPP4
SCHEMBL4737593 0.89 LMNA (0.57) MAPTLMNASMN1; SMN2CYP2C19DPP4
SCHEMBL4741627 0.88 CYP2C19 (0.59) AKR1C3AKR1C1LMNASMN1; SMN2CYP2C19
SCHEMBL4741087 0.86 AKR1C3 (0.48) AKR1C3AKR1C1MAPTLMNADPP4
SCHEMBL4737612 0.85 LMNA (0.50) AKR1C3AKR1C1LMNASMN1; SMN2CYP2C19
SCHEMBL4738276 0.84 CYP2C19 (0.52) MAPTLMNASMN1; SMN2CYP2C19DPP4
SCHEMBL4738968 0.84 HSD11B1 (0.58) AKR1C3AKR1C1MAPTCYP2C19PKLR
SCHEMBL4738286 0.83 LMNA (0.55) LMNASMN1; SMN2CYP2C19DPP4ALDH1A1
SCHEMBL4736675 0.83 MEN1 (0.54) MAPTLMNASMN1; SMN2CYP2C19ALDH1A1

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
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO claimed
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed