SCHEMBL8379657

SCHEMBL8379657

CCN(CC)c1nc(N2CCCN(c3nc(N(CC)CC)c4ccccc4n3)CC2)nc2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.52
HSD17B10 Q99714 4/20 0.51
HPGD P15428 3/20 0.51
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HRH4 Q9H3N8 3/20 0.49
HTR3A P46098 2/20 0.49
ALOX15 P16050 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
NPY1R P25929 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
SCHEMBL11740839 0.86 ALDH1A1 (0.59) ACP1L3MBTL1HSD17B10HPGDGLA
Hydrochloric Acid SCHEMBL11736553 0.85 ALDH1A1 (0.61) ACP1L3MBTL1HSD17B10HPGDGLA
SCHEMBL8706006 0.83 ACP1 (0.48) ACP1L3MBTL1HSD17B10HPGDGLA
SCHEMBL8375410 0.82 HRH4 (0.62) TSHRKDM4EALDH1A1HRH4HTR3A
SCHEMBL16453878 0.81 ACP1 (0.48) ACP1L3MBTL1HRH4HTR3ATP53
SCHEMBL3641988 0.80 L3MBTL1 (0.57) L3MBTL1HSD17B10HPGDGLAGAA
SCHEMBL8375433 0.79 ACP1 (0.46) ACP1L3MBTL1HSD17B10HPGDGLA
SCHEMBL1084351 0.78 L3MBTL1 (0.63) ACP1L3MBTL1HSD17B10HPGDGLA
SCHEMBL8700137 0.75 PDE5A (0.46) ACP1HSD17B10GLAGAATSHR
SCHEMBL3640157 0.75 PDE5A (0.56) L3MBTL1HSD17B10HPGDGLAGAA

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-5874438-A A DRUG TREATING BRAIN DISORDERS, DISEASES OF CENTRAL NERVOUS SYSTEM, DEMENTIA, DEPRESSION, MYOTONIC DYSTROPHY, ASTHMA BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed