SCHEMBL20615680

SCHEMBL20615680

O=C(NCC1CCNCC1)c1ccc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ EP300 Q09472 3/20 0.51
▸ CHRM1 P11229 10/20 0.50
▸ CHRM2 P08172 2/20 0.48
▸ CHRM4 P08173 2/20 0.48
▸ CHRM3 P20309 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ F10 P00742 2/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR4 Q13639 1/20 0.46

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
SCHEMBL8258082 0.92 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6EP300
SCHEMBL20618506 0.90 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6MAPK1
SCHEMBL8251860 0.78 F10 (0.46) HDAC3HDAC4HDAC1HDAC6MAPK1
SCHEMBL20618505 0.77 SMN1; SMN2 (0.44) MAPK1F10HPGDTSHR
SCHEMBL20601550 0.77 SMN1; SMN2 (0.44) MAPK1F10HPGDTSHR
SCHEMBL18838280 0.77 CACNA1I (0.62) HDAC3HDAC4HDAC1HDAC6MAPK1
SCHEMBL1106552 0.77 F10 (0.47) F10
SCHEMBL8259083 0.77 MAPK1 (0.47) MAPK1F10HPGDTSHR
SCHEMBL8257982 0.77 GAA (0.52) HDAC3HDAC4HDAC1HDAC6EP300
Hydrochloric Acid SCHEMBL20601475 0.76 SMN1; SMN2 (0.43) MAPK1F10HPGDTSHR

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
WO-2019003141-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — WO disclosed
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