SCHEMBL30288449

SCHEMBL30288449

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
HTR6 P50406 1/20 0.42
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
DRD2 P14416 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
NR4A2 P43354 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
HTR2B P41595 1/20 0.38
NR3C1 P04150 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL30288464 1.00 MAPT (0.45) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL15701952 0.83 MAPT (0.63) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL23083004 0.83 MAPT (0.63) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL30288458 0.81 MAPT (0.45) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL30288446 0.81 MAPT (0.45) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL15701932 0.81 MAPT (0.45) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL30288466 0.81 SLC6A2 (0.49) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL30288459 0.81 SLC6A2 (0.49) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL30288454 0.78 CHRNB2 (0.46) MAPTCYP3A4HTR6CHRNB2CHRNA7
SCHEMBL30288451 0.78 CHRNB2 (0.46) MAPTCYP3A4HTR6CHRNB2CHRNA7

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