SCHEMBL7527387

SCHEMBL7527387

CC1(C)CCCC(C)(C)N1OCCc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
MPO P05164 8/20 0.40
KDM4E B2RXH2 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TYR P14679 1/20 0.38
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
HSPA5 P11021 1/20 0.35
IDO1 P14902 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL5080992 0.83 HRH3 (0.41) HRH3MPOKDM4ETAAR1TYR
SCHEMBL23038404 0.77 SLC6A3 (0.34)
SCHEMBL6305131 0.73 KMT2A (0.43) HRH3TYR
SCHEMBL1270625 0.71 TSHR (0.30)
SCHEMBL8605624 0.70 TP53 (0.42) MPOKDM4ECA12CA2
SCHEMBL7534627 0.70 LMNA (0.40) KDM4ETAAR1SLC6A4
SCHEMBL13737911 0.70 DHFR (0.31) HRH3SLC6A4
SCHEMBL2512584 0.69 TP53 (0.43)
SCHEMBL2139487 0.68 ALDH1A1 (0.49) SLC6A4
SCHEMBL2772333 0.68 TAAR1 (0.54) HRH3MPOTAAR1TYRHTR1A

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-1192197-A1 METHOD FOR PRODUCING GRAFT COPOLYMERS, CONTAINING AN ELASTIC GRAFT COPOLYMER BACKBONE BASF AKTIENGESELLSCHAFT (DE) 2002-04-03 EP disclosed
WO-2000077060-A1 METHOD FOR PRODUCING GRAFT COPOLYMERS, CONTAINING AN ELASTIC GRAFT COPOLYMER BACKBONE BASF AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed