SCHEMBL8524903

SCHEMBL8524903

N=C(Nc1ccc(C(=O)NCCc2ccccc2Cl)cc1)N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.67
HIF1A Q16665 1/20 0.59
CNR1 P21554 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.50
MC5R P33032 6/20 0.49
CXCR3 P49682 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
MCHR1 Q99705 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MC4R P32245 1/20 0.46
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46

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
SCHEMBL8525511 0.85 NAMPT (0.57) NAMPTCYP2D6CHRM1HTR2AMCHR1
SCHEMBL8581380 0.82 KMT2A (0.48) NAMPTHIF1ACNR1TP53POLB
SCHEMBL8524910 0.81 NAMPT (0.64) NAMPTSMN1; SMN2
SCHEMBL8523428 0.80 NAMPT (0.60) NAMPT
SCHEMBL3706441 0.80 NAMPT (1.00) NAMPT
SCHEMBL8395266 0.79 ALDH1A1 (0.59) NAMPTTP53MAPTCYP2D6CHRM1
SCHEMBL8583853 0.78 HIF1A (0.57) NAMPTHIF1ATRPV1TP53POLB
SCHEMBL8396226 0.78 ALDH1A1 (0.56) NAMPTTP53MAPT
SCHEMBL5598218 0.76 HIF1A (0.85) NAMPTHIF1ACNR1TRPV1MAPT
SCHEMBL8160653 0.75 HIF1A (1.00) NAMPTHIF1ATRPV1MAPTSMN1; SMN2

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-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed