SCHEMBL29312728

SCHEMBL29312728

CC1CN(Cc2ccccc2)CCC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
ACHE P22303 1/20 0.51
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
OPRL1 P41146 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
MC4R P32245 1/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 2/20 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
SCHEMBL10306175 0.83 GAA (0.51) OPRM1OPRK1ACHESIGMAR1MEN1
SCHEMBL9939340 0.83 GAA (0.51) OPRM1OPRK1ACHESIGMAR1MEN1
SCHEMBL11401193 0.83 OPRM1 (0.69) OPRM1OPRK1
SCHEMBL14702321 0.83 ALDH1A1 (0.53) CYP3A4HSD17B10SIGMAR1OPRL1ALDH1A1
SCHEMBL22527926 0.83 ACHE (0.50) OPRM1OPRK1ACHECYP3A4HSD17B10
SCHEMBL1352550 0.83 CYP3A4 (0.49) OPRM1OPRK1ACHECYP3A4HSD17B10
SCHEMBL31343720 0.83 ACHE (0.50) OPRM1OPRK1ACHECYP3A4HSD17B10
SCHEMBL22528005 0.83 ACHE (0.50) OPRM1OPRK1ACHECYP3A4HSD17B10
Hydrochloric Acid SCHEMBL28255032 0.81 POLB (0.48) OPRM1OPRK1ACHECYP3A4HSD17B10
Hydrochloric Acid SCHEMBL28284233 0.81 POLB (0.48) OPRM1OPRK1ACHECYP3A4HSD17B10

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-4400493-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2024-07-17 EP disclosed