SCHEMBL10396809

SCHEMBL10396809

CCOC(=O)N1CCN(c2cc(N)nc(N)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DPP4 P27487 1/20 0.45

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 SCHEMBL10396594 0.99 HRH4 (0.55) HRH4HRH3MAPTALDH1A1HPGD
SCHEMBL10396822 0.85 HRH4 (0.48) HRH4HRH3MAPTALDH1A1HPGD
SCHEMBL7774440 0.83 HRH4 (0.55) HRH4HRH3MAPTALDH1A1LMNA
SCHEMBL5469792 0.81 HRH4 (0.64) HRH4HRH3SMN1; SMN2
SCHEMBL6246317 0.81 OPRD1 (0.48) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL10396556 0.77 MAPT (0.46) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL11823091 0.76 MEN1 (0.55) MAPTALDH1A1HPGDSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL10396814 0.76 MAPT (0.46) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6487053 0.76 SMN1; SMN2 (0.54) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3005622 0.74 HRH4 (0.56) HRH4HRH3MAPTALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885296-A FOR INDUCING AND STIMULATING HAIR GROWTH L'OREAL (FR) 1989-12-05 US claimed
US-4916133-A Stimulating hair growth L'OREAL (FR) 1990-04-10 US disclosed
US-4885296-A FOR INDUCING AND STIMULATING HAIR GROWTH L'OREAL (FR) 1989-12-05 US disclosed