SCHEMBL7986736

SCHEMBL7986736

COC(=O)C1CCC(N2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.55
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
GRIN2B Q13224 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
ORAI1 Q96D31 1/20 0.50
AGTR2 P50052 1/20 0.49
OPRL1 P41146 1/20 0.49
CCR2 P41597 2/20 0.48
TRPV6 Q9H1D0 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3540595 0.85 AKR1C3 (0.56) ALDH1A1TSHRHPGDKMT2ASMN1; SMN2
SCHEMBL181066 0.85 AKR1C3 (0.56) ALDH1A1TSHRHPGDKMT2ASMN1; SMN2
SCHEMBL2965273 0.80 SLC18A3 (0.81) SLC18A3ALDH1A1GRIN2BCYP2D6CYP2C19
SCHEMBL20599602 0.80 AKR1C3 (0.50) ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL21851141 0.78 TP53 (0.56) ALDH1A1KDM4ETSHRKMT2ASMN1; SMN2
SCHEMBL24434987 0.77 AKR1C3 (0.69) ALDH1A1
SCHEMBL3543298 0.77 AKR1C3 (0.69) ALDH1A1
SCHEMBL25618622 0.76 TP53 (0.46) ALDH1A1KDM4EKMT2ASMN1; SMN2GAA
SCHEMBL64063 0.75 KDM4E (0.56) SLC18A3ALDH1A1KDM4ECCR2TRPV6
SCHEMBL7477011 0.75 SLC18A3 (0.59) SLC18A3ALDH1A1KDM4EGRIN2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed