SCHEMBL10953965

SCHEMBL10953965

c1cc(CNC2CCCCC2)ccc1CNC1CCCCC1

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.88
POLB P06746 1/20 0.74
HDAC1 Q13547 1/20 0.66
CXCR4 P61073 2/20 0.63
CXCL12 P48061 1/20 0.63
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
PKM P14618 1/20 0.55
PABPC1 P11940 1/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
GRIN2B Q13224 1/20 0.52
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL4600037 0.90 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL5864236 0.90 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL5863714 0.90 POLB (0.93) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL17335877 0.90 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL6224747 0.90 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL1042778 0.90 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL3862351 0.90 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL11615671 0.90 POLB (0.93) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL21799935 0.90 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL24574127 0.89 HRH3 (0.71) HRH3POLBHDAC1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008003809-A1 ANTITUMOUR COMPOUNDS PHARMA MAR, S.A. (ES) 2008-01-10 WO disclosed
US-4507465-A IMPACT STRENGTH TORAY INDUSTRIES, INC. (JP) 1985-03-26 US disclosed
EP-0113252-A2 Process for producing block copolyamide TORAY INDUSTRIES, INC. (JP) 1984-07-11 EP disclosed