SCHEMBL30457761

SCHEMBL30457761

Nc1[nH]ccc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
KDM4E B2RXH2 7/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
TDO2 P48775 1/20 0.47
ALOX15 P16050 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL404747 0.80 PRKCI (0.56) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL28264205 0.78 PRKCI (0.54) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL26119478 0.78 PRKCI (0.46) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL11886372 0.77 PRKCI (0.53) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL787084 0.76 PRKCI (0.51) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL31395979 0.76 PIK3CD (0.42) HSP90AA1MAPK1MAPTPI4KAPI4KB
SCHEMBL1477084 0.75 PRKCI (0.47) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL2560866 0.73 PRKCI (0.49) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL858806 0.71 KDM4E (0.72) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL819951 0.71 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8

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
EP-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 EP disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 WO disclosed