SCHEMBL31063296

SCHEMBL31063296

Clc1ccc(OCC2CC2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SLC6A4 P31645 1/20 0.49
HTR6 P50406 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGER1 P34995 2/20 0.45
S1PR4 O95977 1/20 0.43

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
SCHEMBL30451941 0.83 ALDH1A1 (0.56) NPC1LMNAALDH1A1MEN1KMT2A
SCHEMBL24252451 0.83 ALDH1A1 (0.56) NPC1LMNAALDH1A1MEN1KMT2A
SCHEMBL30819609 0.80 HTR2C (0.53) HTR2CHTR2BSLC6A4HTR6MAPT
SCHEMBL4008574 0.80 HTR2C (0.53) HTR2CHTR2BSLC6A4HTR6MAPT
SCHEMBL20384325 0.79 HTR2C (0.38) NPC1HTR2CHTR2BSLC6A4HTR6
SCHEMBL4013290 0.79 HTR2C (0.52) NPC1HTR2CHTR2BLMNAALDH1A1
SCHEMBL985592 0.79 HTR2A (0.54) NPC1HTR2CHTR2BALDH1A1KDM4E
SCHEMBL29757994 0.79 HTR2C (0.56) HTR2CHTR2BLMNAALDH1A1MEN1
SCHEMBL23466495 0.79 HTR2C (0.56) HTR2CHTR2BLMNAALDH1A1MEN1
SCHEMBL3796606 0.79 HTR2C (0.54) NPC1HTR2CHTR2BLMNAMEN1

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-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed