SCHEMBL13987449

SCHEMBL13987449

COc1ccccc1CCNCCCCC(=O)c1ccc2c(c1)CCN2C(=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MAOB P27338 1/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 3/20 0.43
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
THRB P10828 2/20 0.41
ADRB2 P07550 2/20 0.40

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
Hydrochloric Acid SCHEMBL4885227 0.99 NAMPT (0.45) NAMPTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13987387 0.89 MAPT (0.46) NAMPTMAPTPOLBTHRBADRB2
SCHEMBL13987447 0.89 THRB (0.51) MAPTRAB9ASMN1; SMN2TP53POLB
SCHEMBL13987353 0.89 POLB (0.47) MAPTSMN1; SMN2PKMPOLBALDH1A1
Hydrochloric Acid SCHEMBL4879275 0.89 MAPT (0.46) NAMPTMAPTPOLBTHRBADRB2
Hydrochloric Acid SCHEMBL4851408 0.88 THRB (0.50) MAPTRAB9ASMN1; SMN2TP53POLB
SCHEMBL13987391 0.88 POLB (0.47) MAPTSMN1; SMN2PKMPOLBALDH1A1
Hydrochloric Acid SCHEMBL4888527 0.88 POLB (0.47) MAPTSMN1; SMN2PKMPOLBALDH1A1
Hydrochloric Acid SCHEMBL4851829 0.87 POLB (0.46) MAPTSMN1; SMN2PKMPOLBALDH1A1
SCHEMBL4858163 0.86 NPC1 (0.43) NAMPTMAPTNPC1RAB9ASMN1; SMN2

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed