SCHEMBL31165632

SCHEMBL31165632

CC1(C)C2CN(C(=O)c3ccc4n3CCNC4)CC21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.32
SPR P35270 2/20 0.32
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
SIGMAR1 Q99720 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
SCHEMBL1937282 0.71 HTR2A (0.39) HTR2AHTR2CSIGMAR1
SCHEMBL930255 0.71 HTR2A (0.36) HTR2AHTR2C
Hydrochloric Acid SCHEMBL31165627 0.70 ITGB3 (0.35)
SCHEMBL928777 0.69 OPRD1 (0.42) HTR2AHTR2C
SCHEMBL928282 0.68 CHRM3 (0.38) HTR2AHTR2C
SCHEMBL929638 0.68 SMYD3 (0.40) HTR2AHTR2C
SCHEMBL14525196 0.67 TSHR (0.37) HTR2AHTR2CSIGMAR1
SCHEMBL1938851 0.66 RPS6KA3 (0.35) HTR2AHTR2C
SCHEMBL928283 0.66 CHRNA10 (0.36)
Trifluoroacetic Acid SCHEMBL31565037 0.64 TGFBR1 (0.34) HTR2AHTR2C

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
WO-2024218059-A1 NEW α4β7 INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2024-10-24 WO disclosed