SCHEMBL10587170

SCHEMBL10587170

N=C(N)NCCCCNC(=O)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.67
HPGD P15428 4/20 0.66
GAA P10253 1/20 0.66
ATM Q13315 1/20 0.64
ALDH1A1 P00352 4/20 0.57
NAMPT P43490 1/20 0.55
CNR1 P21554 1/20 0.54
KCNH2 Q12809 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL24486729 0.97 HPGD (0.66) TRPV1HPGDGAAATMALDH1A1
SCHEMBL21171839 0.93 HPGD (0.60) TRPV1HPGDGAAATMALDH1A1
SCHEMBL10585628 0.88 TRPV1 (0.83) TRPV1HPGDGAAATMALDH1A1
SCHEMBL14648000 0.83 ATM (0.78) TRPV1HPGDGAAATMALDH1A1
SCHEMBL24487011 0.83 HDAC8 (0.52) TRPV1HPGDGAAATMALDH1A1
SCHEMBL21171923 0.83 ATM (0.54) TRPV1HPGDGAAATMALDH1A1
SCHEMBL2818522 0.81 HPGD (0.72) TRPV1HPGDGAAATMALDH1A1
SCHEMBL9175300 0.81 TRPV1 (0.68) TRPV1HPGDGAAATMALDH1A1
SCHEMBL10630007 0.81 LMNA (0.68) TRPV1HPGDGAAALDH1A1NAMPT
Ammonia Solution, Strong SCHEMBL9177687 0.81 TRPV1 (0.71) TRPV1HPGDGAAATMALDH1A1

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
EP-0319471-A2 Resolution process CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed