SCHEMBL7976984

SCHEMBL7976984

Cc1ccc(NC23CC4CC(CC(C4)C2)C3)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
MAPT P10636 3/20 0.43
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NPC1 O15118 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7967024 0.77 ALDH1A1 (0.59) RAB9AMAPTGABBR2GABBR1LMNA
SCHEMBL7966791 0.74 RAB9A (0.61) RAB9AMAPTALDH1A1TSHRNPC1
SCHEMBL2152199 0.73 MEN1 (0.49) RAB9AMAPTLMNAALDH1A1L3MBTL1
SCHEMBL23495205 0.71 FDPS (0.40) RAB9ALMNAALDH1A1L3MBTL1TSHR
SCHEMBL7977522 0.71 NPC1 (0.46) RAB9AMAPTGABBR2GABBR1LMNA
SCHEMBL7966600 0.71 NOS3 (0.47) RAB9AMAPTGABBR2GABBR1LMNA
SCHEMBL21666863 0.68 RAB9A (0.59) RAB9AMAPTHDAC6ALDH1A1ADRA2A
SCHEMBL19068266 0.68 PDGFRB (0.49) RAB9AMAPTGABBR2GABBR1LMNA
SCHEMBL27304702 0.68 MEN1 (0.43) LMNAALDH1A1L3MBTL1KDM4E
SCHEMBL7994913 0.68 L3MBTL1 (0.43) RAB9AMAPTGABBR2GABBR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001074778-A1 (1-ADAMANTYLAMINO)PYRIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO claimed
WO-2001074778-A1 (1-ADAMANTYLAMINO)PYRIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO disclosed