SCHEMBL6472053

SCHEMBL6472053

C#CCNC1(OC(=O)NCC)CCCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM1A O60341 6/20 0.36
CHRNA7 P36544 1/20 0.35
MEN1 O00255 1/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MAPT P10636 1/20 0.34

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
Hydrochloric Acid SCHEMBL333583 0.99 ACHE (0.39) ACHECYP1A2CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL11898398 0.81 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL16192661 0.77 HDAC9 (0.35) KMT2A
SCHEMBL4946111 0.76 ACHE (0.41) ACHE
SCHEMBL2028968 0.74 SIGMAR1 (0.38) CYP1A2CYP2C9CYP2C19KMT2APPARG
SCHEMBL1051970 0.69 MAOB (0.39) ACHEKMT2AKDM1AMEN1
SCHEMBL4348712 0.66 MAOB (0.38) ACHEKDM1A
SCHEMBL7947368 0.63 MAOB (0.41) ACHECYP1A2CYP2C9CYP2C19KDM1A
SCHEMBL7341859 0.63 MAOB (0.38) ACHECYP1A2CYP2C9CYP2C19KDM1A
SCHEMBL5807645 0.63 KDM1A (0.40) ACHEKMT2AKDM1AMEN1

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-20050171210-A1 Compositions and methods for treatment of cardiovascular disorders and diseases TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-04 US claimed