SCHEMBL3454588

SCHEMBL3454588

CC(C)N1C=C(c2ccc(N3CCCC3)c(F)c2)C=CC1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CSF1R P07333 3/20 0.32
CDK4 P11802 3/20 0.32
CDK6 Q00534 3/20 0.32
KDM1A O60341 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL3067369 0.75 MAPT (0.34) MAPTALDH1A1HPGDPDE3BPDE3A
SCHEMBL3454571 0.71 CTSC (0.34) KDM1A
SCHEMBL3468778 0.69 OPRD1 (0.51) MAPTALDH1A1HPGD
SCHEMBL3454585 0.67 MAPT (0.34) MAPTALDH1A1HPGDTSHRPDE3B
SCHEMBL12160700 0.60 ALDH1A1 (0.53) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL17660600 0.59 CDK1 (0.43) MAPTALDH1A1CDK4SMN1; SMN2CCNE1
SCHEMBL8257783 0.59 CHRM2 (0.43) MAPTALDH1A1HPGDTSHRCDK4
SCHEMBL16249197 0.59 ALDH1A1 (0.51) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL7055201 0.58 HTR7 (0.57) MAPTALDH1A1LMNA
SCHEMBL13419303 0.57 HTR1A (0.52) MAPTALDH1A1SMN1; SMN2LMNAGAA

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