SCHEMBL30601162

SCHEMBL30601162

COC(=O)C(CC1CC1)c1cc(Br)c(C)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.38
CNR1 P21554 1/20 0.33
P2RX7 Q99572 2/20 0.32
FFAR2 O15552 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19874080 0.80 TSHR (0.35) CNR2TSHRSMN1; SMN2MEN1RAB9A
SCHEMBL17295745 0.80 RAB9A (0.39) CNR2P2RX7FFAR2TSHRSMN1; SMN2
SCHEMBL30601182 0.78 CNR2 (0.35) CNR2CNR1
SCHEMBL19874054 0.77 ALDH1A1 (0.39) CNR2P2RX7LMNATSHRSMN1; SMN2
SCHEMBL19874404 0.75 RAB9A (0.43) CNR2SMN1; SMN2RAB9AKMT2A
SCHEMBL19874327 0.75 RAB9A (0.45) SMN1; SMN2RAB9AKMT2A
SCHEMBL2182186 0.74 CNR2 (0.36) CNR2P2RX7FFAR2
SCHEMBL2182205 0.72 ABL1 (0.37) CNR2P2RX7FFAR2SMN1; SMN2
SCHEMBL17479485 0.71 MEN1 (0.46) CNR2CNR1FFAR2SMN1; SMN2MEN1
SCHEMBL17295691 0.71 RAB9A (0.38) CNR2LMNASMN1; SMN2MEN1RAB9A

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
CN-116514708-A Pyridine-amide compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-08-01 CN disclosed