SCHEMBL6603994

SCHEMBL6603994

CC(C)OC(=O)CCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HTT P42858 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
SCHEMBL14012690 0.92 CHRM5 (0.39) CHRM5CHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL16062677 0.87 LMNA (0.39) CHRM5CHRM3SMN1; SMN2MEN1KMT2A
Pyridine SCHEMBL28218072 0.87 KDM4E (0.38) CHRM5CHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL20762100 0.82 TP53 (0.51) SMN1; SMN2LMNAALDH1A1TSHRCYP2D6
SCHEMBL28859833 0.82 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL1418067 0.82 CHRM5 (0.54) CHRM5CHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL14197235 0.81 GLA (0.55) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL6603043 0.80 SMN1; SMN2 (0.56) CHRM5CHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL19450983 0.80 CHRM5 (0.41) CHRM5CHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL19156830 0.79 FAAH (0.45) CHRM5CHRM3LMNAALDH1A1HRH2

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
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 — — EP disclosed
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 — — US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 — — EP disclosed
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