SCHEMBL11270164

SCHEMBL11270164

CN1CCCCC1C(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PARP1 P09874 2/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
PABPC1 P11940 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL20634019 1.00 HPGD (0.55) HPGDPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL12890054 0.95 ALDH1A1 (0.57) HPGDPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL26207454 0.95 ALDH1A1 (0.57) HPGDPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL4742813 0.82 ALDH1A1 (0.60) HPGDPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL27905620 0.81 CYP3A4 (0.66) POLBALDH1A1CYP3A4CYP2D6LMNA
SCHEMBL19831310 0.81 CYP3A4 (0.55) POLBALDH1A1CYP2C9CYP2C19PARP1
SCHEMBL914030 0.80 CYP3A4 (0.54) POLBALDH1A1CYP2C9PARP1CYP3A4
SCHEMBL914028 0.80 CYP3A4 (0.54) POLBALDH1A1CYP2C9PARP1CYP3A4
Dexivacaine SCHEMBL25315 0.79 KCNK3 (0.72) POLBALDH1A1CYP3A4CYP2D6HTT
Mepivacaine SCHEMBL25314 0.79 KCNK3 (0.72) POLBALDH1A1CYP3A4CYP2D6HTT

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-2020141460-A2 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
WO-2020141459-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
US-4349526-A TRI-SUBSTITUTED PHENYLUREAS AS SOLVENT IN ANTHRAQUINONE PROCESS DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed