SCHEMBL3454585

SCHEMBL3454585

CC(C)N1CC(c2ccc(N3CCCC3)c(F)c2)=CC=C1C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
CDK4 P11802 10/20 0.34
CDK6 Q00534 10/20 0.34
CSF1R P07333 8/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.34
PIK3CD O00329 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3067368 0.74 ALDH1A1 (0.35) MAPTALDH1A1MEN1KMT2APDE3B
SCHEMBL3454570 0.70 NMT1 (0.33)
SCHEMBL3454588 0.67 MAPT (0.34) MAPTCDK4CDK6CSF1RALDH1A1
SCHEMBL30273032 0.63 HTR7 (0.39) MAPTCDK4CDK6CSF1RALDH1A1
SCHEMBL12160700 0.60 ALDH1A1 (0.53) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL17660600 0.60 CDK1 (0.43) MAPTCDK4ALDH1A1CCNE1CDK2
SCHEMBL25775892 0.60 TNKS (0.40) CDK4CDK6
SCHEMBL8257783 0.59 CHRM2 (0.43) MAPTCDK4ALDH1A1HPGDTSHR
SCHEMBL22325019 0.59 HPGD (0.44) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL3583604 0.59 HRH3 (0.60)

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
EP-2166850-A1 NEW HETEOCYCLIC H3 ANTAGONISTS High Point Pharmaceuticals, LLC (US) 2010-03-31 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO disclosed