SCHEMBL20698374

SCHEMBL20698374

COCCCN1C2CCC1CC(O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP2C9 P11712 1/20 0.47
HTR4 Q13639 2/20 0.40
SMYD3 Q9H7B4 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GBA1 P04062 2/20 0.33
RAD52 P43351 1/20 0.33
KIF11 P52732 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A3 Q01959 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL14967799 0.89 LMNA (0.50) LMNACYP2C9HTR4SMYD3CHRM2
SCHEMBL20980930 0.84 LMNA (0.45) LMNACYP2C9OPRM1OPRD1CHRM2
SCHEMBL24114606 0.81 LMNA (0.42) LMNACYP2C9HTR4OPRM1OPRD1
SCHEMBL20739189 0.81 LMNA (0.47) LMNACYP2C9HTR4OPRM1OPRD1
SCHEMBL23588848 0.80 LMNA (0.43) LMNACYP2C9SMYD3CHRM2CHRM1
SCHEMBL24087139 0.79 LMNA (0.52) LMNACYP2C9OPRM1OPRD1CHRM1
SCHEMBL24556316 0.77 LMNA (0.39) LMNACYP2C9CHRM2CHRM1CHRM3
SCHEMBL24556400 0.77 LMNA (0.50) LMNACYP2C9HTR4OPRM1OPRD1
SCHEMBL24114565 0.76 LMNA (0.48) LMNACYP2C9SMYD3OPRM1OPRD1
SCHEMBL24114621 0.76 LMNA (0.48) LMNACYP2C9SMYD3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664793-B1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX INC (US) 2022-06-29 EP disclosed
EP-3658522-B1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX INC (US) 2021-12-22 EP disclosed
WO-2020047035-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CHEMOCENTRYX, INC. (US) 2020-03-05 WO disclosed
WO-2019032547-A1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX, INC. (US) 2019-02-14 WO disclosed
WO-2019023575-A1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX, INC. (US) 2019-01-31 WO disclosed