SCHEMBL8658494

SCHEMBL8658494

COC(=O)CCCN1CCN(C2OC(=O)N(C)C2CCN2CCN(C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
RAD52 P43351 1/20 0.33
GLA P06280 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KAT2B Q92831 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8661588 0.93 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAL3MBTL1TP53
SCHEMBL8656393 0.93 HTR7 (0.35) SMN1; SMN2TSHRTP53BRD4
SCHEMBL8654546 0.90 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL8656677 0.90 CHRM1 (0.33) PAOXSMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL8658456 0.89 GAA (0.34) SMN1; SMN2ALDH1A1LMNAGLAFPR3
SCHEMBL8655552 0.89 SMN1; SMN2 (0.34) SMN1; SMN2GLA
SCHEMBL8655661 0.89 SMN1; SMN2 (0.38) PAOXSMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL8659458 0.88 FPR3 (0.32) PAOXSMN1; SMN2GLAFPR3FPR2
SCHEMBL8657068 0.86 MAOB (0.33) SMN1; SMN2FPR3FPR2TP53
SCHEMBL8656723 0.85 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAFPR3FPR2

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed