SCHEMBL9035539

SCHEMBL9035539

[CH2]N1CCC(OCC)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
CCR5 P51681 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL9044462 0.81 EPHX2 (0.37) NPC1
SCHEMBL184319 0.79
SCHEMBL12855787 0.79 ALDH1A1 (0.39)
SCHEMBL1158572 0.78 NCF1 (0.41) NPC1
SCHEMBL15888619 0.76 PIK3CA (0.34) NPC1CCR5PIK3CAMTOR
SCHEMBL19288558 0.76 NPC1 (0.30) NPC1CCR5PIK3CAMTOR
SCHEMBL28266403 0.76 NPC1 (0.30) NPC1CCR5PIK3CAMTOR
SCHEMBL7903518 0.76 HRH3 (0.43) NPC1CCR5
Ammonia Solution, Strong SCHEMBL8076657 0.76
SCHEMBL1158423 0.74 CHRM1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed