SCHEMBL30288451

SCHEMBL30288451

CN[C@@H](C)Cc1c(Cl)[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.46
CHRNA7 P36544 5/20 0.46
CHRNA4 P43681 5/20 0.46
NR3C1 P04150 1/20 0.45
TAAR1 Q96RJ0 2/20 0.43
SLC18A2 Q05940 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NR4A2 P43354 1/20 0.41
KRAS P01116 1/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 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
SCHEMBL30288454 1.00 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4NR3C1TAAR1
SCHEMBL30288469 0.81 TAAR1 (0.43) CHRNB2CHRNA7CHRNA4NR3C1TAAR1
SCHEMBL30288452 0.81 TAAR1 (0.43) CHRNB2CHRNA7CHRNA4NR3C1TAAR1
SCHEMBL30288466 0.81 SLC6A2 (0.49) CHRNB2CHRNA7CHRNA4NR3C1TAAR1
SCHEMBL30288459 0.81 SLC6A2 (0.49) CHRNB2CHRNA7CHRNA4NR3C1TAAR1
SCHEMBL30288449 0.78 MAPT (0.45) CHRNB2CHRNA7CHRNA4NR3C1NR4A2
SCHEMBL30288464 0.78 MAPT (0.45) CHRNB2CHRNA7CHRNA4NR3C1NR4A2
SCHEMBL30288455 0.74 HTR6 (0.48) CHRNB2CHRNA7CHRNA4MAPTCYP3A4
SCHEMBL31696757 0.72 ALDH1A1 (0.46) NR4A2MAPTCYP3A4ALDH1A1TSHR
SCHEMBL3084757 0.70 KIF11 (0.50) CHRNB2CHRNA7CHRNA4NR4A2MAPT

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-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP claimed
EP-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP disclosed