SCHEMBL14898569

SCHEMBL14898569

CCCCCCCCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.42
MAPT P10636 1/20 0.41
DNM1 Q05193 2/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ACHE P22303 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 3/20 0.37
GGPS1 O95749 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL13301203 1.00 EPHX2 (0.42) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL14898572 1.00 EPHX2 (0.42) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL14898566 1.00 EPHX2 (0.42) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL14898568 1.00 EPHX2 (0.42) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL14898567 1.00 EPHX2 (0.42) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL14898565 1.00 EPHX2 (0.42) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL14898570 1.00 EPHX2 (0.42) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL11301771 0.93 CHRNB2 (0.40) EPHX2MAPTDNM1CHRNB2CHRNB4
SCHEMBL14870601 0.84 MAPT (0.42) EPHX2MAPTDNM1LMNAALDH1A1
SCHEMBL6895698 0.84 MAPT (0.42) EPHX2MAPTDNM1LMNAALDH1A1

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-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 US disclosed