SCHEMBL9713342

SCHEMBL9713342

CCOC(=O)[C@]1(C(=O)O)CCCN1C(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4422293 0.71 SIGMAR1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24471425 0.71 GRIN2B (0.39) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL8239452 0.71 OPRM1 (0.36) MEN1KMT2AALDH1A1RAB9A
SCHEMBL29256392 0.71 TDP1 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7158127 0.71 TDP1 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5653695 0.71 TDP1 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25095054 0.69 TDP1 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1929294 0.68 NR2F2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1930614 0.68 NR2F2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20329119 0.68 GRIN2B (0.37) MEN1KMT2AGAAALDH1A1

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
EP-0253190-B1 PARTIALLY RETRO-INVERTED TUFTSIN ANALOGUES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ENIRICERCHE S.p.A. (IT) 1992-12-30 EP disclosed
US-4816560-A STORAGE STABILITY ENIRICERCHE S.P.A. (IT) 1989-03-28 US disclosed