SCHEMBL8639583

SCHEMBL8639583

CCN1CCC(C(N)=O)CC1Oc1ccc(Cc2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.46
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL8639324 0.86 LTA4H (0.54) LTA4HNPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL8641653 0.84 OPRK1 (0.43) OPRK1KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL8635992 0.78 LTA4H (0.54) LTA4HNPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL8641938 0.77 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL8637399 0.75 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7139530 0.74 LTA4H (0.74) LTA4HNPC1RAB9A
SCHEMBL8641866 0.72 LTA4H (0.42) LTA4HOPRK1KCNH2NPC1RAB9A
SCHEMBL8639102 0.72 LTA4H (0.42) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8642217 0.69 LTA4H (0.42) LTA4H
SCHEMBL8641861 0.69 LTA4H (0.47) LTA4HNPC1RAB9A

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed