SCHEMBL9818689

SCHEMBL9818689

O=C(NCC1(c2ccccc2)CCCCC1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
TP53 P04637 1/20 0.54
LMNA P02545 6/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 1/20 0.52
P2RX7 Q99572 2/20 0.51
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 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
SCHEMBL8007084 0.91 CNR1 (0.59) CNR1TP53LMNAMEN1KMT2A
SCHEMBL9818664 0.82 CNR1 (0.60) CNR1TP53LMNAMEN1KMT2A
SCHEMBL9818610 0.81 TP53 (0.79) CNR1TP53LMNAMEN1KMT2A
SCHEMBL9818616 0.81 CFD (0.58) CNR1TP53LMNAMEN1KMT2A
SCHEMBL9818668 0.79 CNR1 (0.70) CNR1TP53LMNAMEN1KMT2A
SCHEMBL9818669 0.79 CNR1 (0.87) CNR1LMNAMEN1KMT2AMAPT
SCHEMBL9818656 0.78 MAPT (0.65) CNR1LMNAMEN1KMT2AMAPT
SCHEMBL9818624 0.78 TP53 (0.60) CNR1TP53LMNAMEN1KMT2A
SCHEMBL9818687 0.78 TP53 (0.60) CNR1TP53LMNAMEN1KMT2A
SCHEMBL9818764 0.78 ALDH1A1 (0.52) CNR1TP53LMNAMEN1KMT2A

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
US-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed