SCHEMBL9704424

SCHEMBL9704424

CCN(CC)C(=O)N1CCC[N]C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
HTR1A P08908 1/20 0.40
TDP1 Q9NUW8 1/20 0.34
P2RX4 Q99571 3/20 0.33
LIPE Q05469 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
RYR2 Q92736 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PTBP1 P26599 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX7 Q99572 1/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9705120 0.90 POLB (0.43) POLBHTR1ATDP1P2RX4LIPE
SCHEMBL9705236 0.81 MEN1 (0.33) KMT2ASMN1; SMN2MAPT
SCHEMBL9704457 0.78 HTT (0.30) P2RX4HTTP2RX1P2RX3P2RX7
SCHEMBL9704716 0.77 P2RX1 (0.36) POLBHTR1AP2RX4ALDH1A1P2RX1
SCHEMBL11587574 0.67 ALDH1A1 (0.50) POLBHTR1AP2RX4LIPEALDH1A1
SCHEMBL7171235 0.66 ALDH1A1 (0.42) POLBHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL12928358 0.64 HTR1A (0.69) POLBHTR1ATDP1HTTALDH1A1
SCHEMBL22350718 0.64 HTR1A (0.69) POLBHTR1ATDP1HTTALDH1A1
SCHEMBL4612540 0.63 HTR1A (0.62) POLBHTR1ATDP1P2RX4HTT
SCHEMBL1858027 0.62 HTR1A (0.67) POLBHTR1ATDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed