SCHEMBL30804328

SCHEMBL30804328

O=C(O)c1ccc(N2CCC(CO)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
KDM1A O60341 1/20 0.52
SMO Q99835 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK8 P45983 1/20 0.46
DGAT1 O75907 4/20 0.46
PDE10A Q9Y233 3/20 0.46
OGA O60502 1/20 0.45
CYP3A4 P08684 1/20 0.44
SOAT1 P35610 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGER4 P35408 1/20 0.43

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
SCHEMBL14575465 1.00 HRH3 (0.52) HRH3KDM1ASMOALDH1A1NPC1
SCHEMBL14575543 0.89 HRH3 (0.50) HRH3KDM1ASMOALDH1A1NPC1
SCHEMBL19598739 0.87 HRH3 (0.54) HRH3KDM1AALDH1A1NPC1RAB9A
SCHEMBL30588290 0.87 KDM1A (0.62) HRH3KDM1ASMOLMNAPDE10A
SCHEMBL25141661 0.84 NPC1 (0.62) HRH3KDM1AALDH1A1NPC1RAB9A
SCHEMBL14575732 0.84 HRH3 (0.55) HRH3KDM1ASMOALDH1A1NPC1
SCHEMBL601333 0.82 HRH3 (0.54) HRH3KDM1ASMOALDH1A1NPC1
SCHEMBL14605216 0.82 LMNA (0.55) HRH3SMOALDH1A1NPC1RAB9A
SCHEMBL4252011 0.82 RAB9A (0.61) HRH3SMOALDH1A1NPC1RAB9A
SCHEMBL20423467 0.81 CRBN (0.51) HRH3KDM1AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
WO-2024054602-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed