SCHEMBL2780581

SCHEMBL2780581

C#CCNCCc1ccc(F)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL21709074 0.86 ATM (0.63) SMN1; SMN2POLBATMKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5362227 0.78 POLB (0.70) SMN1; SMN2POLBATMKDM4EALDH1A1
SCHEMBL16517998 0.78 POLB (0.47) SMN1; SMN2POLBATMALDH1A1
SCHEMBL21709052 0.75 ACHE (0.43) SMN1; SMN2POLBATMKDM4EALDH1A1
SCHEMBL1237469 0.74 KDM4E (0.72) ATMKDM4EGLA
SCHEMBL8145667 0.74 ATM (0.52) POLBATMKDM4EGLA
SCHEMBL27568728 0.73 ADRB2 (0.53) KDM4EALDH1A1GLAADRB2ADRB1
SCHEMBL3984162 0.73 CHRM2 (0.64) KDM4EALDH1A1ACHE
Hydrochloric Acid SCHEMBL5353436 0.73 KDM4E (0.70) ATMKDM4EGLA
SCHEMBL1239104 0.73 TAAR1 (0.51) ATMKDM4EGLA

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
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 WO disclosed