SCHEMBL7977833

SCHEMBL7977833

CC1(C)CC(C(N)=O)CCN(C(=O)[CH]Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL7360691 0.84 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19ALDH1A1RAB9ATDP1
SCHEMBL6163787 0.72 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19ALDH1A1RAB9AGAA
SCHEMBL27463118 0.72 LMNA (0.48) SMN1; SMN2ALDH1A1RAB9AKDM4EKMT2A
SCHEMBL6164881 0.71 LTA4H (0.49) KMT2AHTT
SCHEMBL3138570 0.69 SPHK1 (0.50) RAB9ANPC1
SCHEMBL4086816 0.69 TACR1 (0.44) SMN1; SMN2CYP2C19ALDH1A1GAA
SCHEMBL6163270 0.69 SPHK1 (0.47) ALDH1A1RAB9ANPC1
SCHEMBL4095230 0.69 TACR1 (0.44) SMN1; SMN2CYP2C19ALDH1A1GAA
SCHEMBL6052746 0.69 TACR1 (0.44) SMN1; SMN2CYP2C19ALDH1A1GAA
SCHEMBL4422938 0.68 NPC1 (0.53) SMN1; SMN2ALDH1A1RAB9ATDP1KMT2A

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
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed