SCHEMBL13938792

SCHEMBL13938792

CCCN(CCC#N)Cc1ccc(C(C)CC)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
DRD3 P35462 1/20 0.39
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14370175 0.97 HRH3 (0.43) HRH3DRD3MAPTNPC1ALDH1A1
SCHEMBL713869 0.79 HRH3 (0.50) HRH3DRD3MAPTNPC1ALDH1A1
SCHEMBL14356837 0.76 CYP2C9 (0.43) HRH3MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL13718713 0.76 HRH3 (0.40) HRH3DRD3MAPTALDH1A1
SCHEMBL10178536 0.76 HRH3 (0.57) HRH3
SCHEMBL12130109 0.74 PYCR1 (0.44) HRH3ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL19398654 0.74 HRH3 (0.43) HRH3MAPTNPC1ALDH1A1RAB9A
SCHEMBL13926492 0.74 MAPT (0.47) HRH3MAPTALDH1A1HPGD
SCHEMBL13926472 0.73 ALDH1A1 (0.40) HRH3MAPTALDH1A1CYP2C9HPGD
SCHEMBL14370178 0.72 ALDH1A1 (0.40) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9

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
US-7473652-B2 Organic polymers, electronic devices, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-01-06 US disclosed
US-7279777-B2 Organic polymers, laminates, and capacitors 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-09 US disclosed