SCHEMBL9761609

SCHEMBL9761609

Cn1cncc1CN1OCC(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.41
LMNA P02545 3/20 0.39
CYP3A4 P08684 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CYP2C9 P11712 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM2 P08172 1/20 0.39
CYP2A6 P11509 1/20 0.39
CNR1 P21554 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2A13 Q16696 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9761584 0.77 BRD4 (0.36) CYP3A4CYP2C9CYP1A2CYP2C19BRD4
SCHEMBL9760799 0.75 BRD4 (0.37) BRD4
SCHEMBL9762330 0.74 CHRM5 (0.43) CHRM5LMNACYP3A4CHRM4CHRM1
SCHEMBL9762390 0.72 CHRM5 (0.42) CHRM5LMNACYP3A4CHRM4CHRM1
SCHEMBL9762586 0.72 PARG (0.37) BRD4PARG
SCHEMBL9762213 0.72 BRD4 (0.44) LMNACYP3A4CYP2C9MEN1CYP2C19
SCHEMBL9761111 0.71 CYP2C9 (0.38) CYP2C9CYP2C19BRD4
SCHEMBL9762493 0.69 BRD4 (0.40) KDM4EBRD4
SCHEMBL7613547 0.68 ELANE (0.50) MEN1KMT2ABRD4
SCHEMBL2352063 0.67 BRD4 (0.42) MEN1KMT2AKDM4EMAPTBRD4

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-5066665-A Cognition activators; alzheimer*s disease WARNER-LAMBERT CO. (US) 1991-11-19 US claimed
US-5066665-A Cognition activators; alzheimer*s disease WARNER-LAMBERT CO. (US) 1991-11-19 US disclosed