SCHEMBL9681172

SCHEMBL9681172

CCC(C)(C(=O)C(C)(C)c1ccccc1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
TACR3 P29371 1/20 0.42
KMT2A Q03164 2/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.39
KCNA5 P22460 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
RIPK1 Q13546 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
FKBP1A P62942 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
SCHEMBL28845914 0.74 SMN1; SMN2 (0.49) SMN1; SMN2OPRM1OPRD1GAALMNA
SCHEMBL3312757 0.73 SMN1; SMN2 (0.58) SMN1; SMN2OPRM1OPRD1GAALMNA
SCHEMBL19070596 0.73 SMN1; SMN2 (0.77) SMN1; SMN2OPRM1OPRD1LMNATSHR
SCHEMBL4541997 0.73 KCNA5 (0.48) SMN1; SMN2OPRM1OPRD1GAALMNA
SCHEMBL18889556 0.72 OPRM1 (0.60) SMN1; SMN2OPRM1OPRD1GAALMNA
SCHEMBL29005260 0.71 SMN1; SMN2 (0.68) SMN1; SMN2OPRM1OPRD1LMNAKMT2A
SCHEMBL18765527 0.71 OPRM1 (0.49) SMN1; SMN2OPRM1OPRD1LMNAKMT2A
SCHEMBL96865 0.71 ALDH1A1 (0.56) SMN1; SMN2KMT2APOLBMEN1ALDH1A1
SCHEMBL11541847 0.71 SMN1; SMN2 (0.54) SMN1; SMN2OPRM1OPRD1GAALMNA
SCHEMBL11541844 0.71 SMN1; SMN2 (0.54) SMN1; SMN2OPRM1OPRD1GAALMNA

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed