SCHEMBL30133729

SCHEMBL30133729

CC(C)N1CCc2ccncc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HRH3 Q9Y5N1 2/20 0.39
NAMPT P43490 3/20 0.38
PDGFRB P09619 3/20 0.38
KDR P35968 3/20 0.38
ADORA2A P29274 1/20 0.38
EED O75530 1/20 0.37
ATR Q13535 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL8371340 1.00 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4HRH3NAMPT
SCHEMBL8271969 0.93 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4HRH3NAMPT
SCHEMBL7878390 0.85 MITF (0.43) SIGMAR1CHRNB2CHRNA4NAMPTMITF
SCHEMBL29852295 0.85 MAPT (0.45) SIGMAR1HRH3NAMPTPDGFRBKDR
SCHEMBL21882782 0.84 ADORA2A (0.42) SIGMAR1CHRNB2CHRNA4NAMPTPDGFRB
SCHEMBL19163823 0.78 HRH3 (0.39) HRH3MITFALDH1A1LMNARAB9A
SCHEMBL9965909 0.78 MAOA (0.55) SIGMAR1CHRNB2CHRNA4
SCHEMBL1083820 0.76 MAOA (0.57) HRH3ALDH1A1LMNA
SCHEMBL30561536 0.76 MAOA (0.57) HRH3ALDH1A1LMNA
SCHEMBL18417276 0.76 NAMPT (0.49) SIGMAR1HRH3NAMPTLMNA

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
CN-115605475-B Immunosuppressant, preparation method and application thereof 上海和誉生物医药科技有限公司 2025-03-25 CN disclosed
CN-115605475-A Immunosuppressant, preparation method and application thereof 上海和誉生物医药科技有限公司(CN) 2023-01-13 CN disclosed