SCHEMBL8620609

SCHEMBL8620609

O=C(c1ccccc1)N1CCc2ccc(I)cc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
ALDH1A1 P00352 1/20 0.68
AVPR2 P30518 2/20 0.57
OXTR P30559 2/20 0.57
AVPR1A P37288 2/20 0.57
RAB9A P51151 6/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.51
STAT3 P40763 1/20 0.50
SLC22A12 Q96S37 2/20 0.48
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL11031260 0.84 HPGD (0.69) HPGDALDH1A1AVPR2OXTRAVPR1A
SCHEMBL15690050 0.83 NOTUM (0.47) HPGDALDH1A1AVPR2OXTRAVPR1A
SCHEMBL3454628 0.82 HPGD (0.68) HPGDALDH1A1AVPR2OXTRAVPR1A
SCHEMBL5783412 0.81 HPGD (1.00) HPGDALDH1A1AVPR2OXTRAVPR1A
SCHEMBL31556814 0.81 HPGD (1.00) HPGDALDH1A1AVPR2OXTRAVPR1A
SCHEMBL21348490 0.79 HPGD (0.62) HPGDALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL980588 0.78 NOTUM (0.67) HPGDALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL8614711 0.78 ALDH1A1 (0.61) HPGDALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL31680509 0.76 HPGD (0.90) HPGDALDH1A1AVPR2OXTRAVPR1A
SCHEMBL16494462 0.75 HPGD (0.69) HPGDALDH1A1RAB9AKMT2ASMN1; SMN2

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-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed