SCHEMBL24329609

SCHEMBL24329609

Cc1ccc(C(C)C)c2c1N(C(C)C)CC2

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTR2C P28335 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27261377 0.81 KDM4E (0.34) C5AR1KDM4EHTR2C
SCHEMBL18999659 0.74 HTR2A (0.33) KDM4EHTR2CHTR2AHTR2B
SCHEMBL30826397 0.73 ALDH1A1 (0.37) C5AR1ALDH1A1KDM4EALOX15TSHR
SCHEMBL29187830 0.73 ALDH1A1 (0.37) C5AR1ALDH1A1KDM4EALOX15TSHR
SCHEMBL9914264 0.70 FAAH (0.36) C5AR1ALDH1A1ALOX15TSHRHTR2C
SCHEMBL25844237 0.70 MAOA (0.37) TSHRHTR2CHTR2B
SCHEMBL13180800 0.68 ALOX12 (0.46) HTR2CHTR2B
SCHEMBL27010896 0.68 HTR2A (0.37) HTR2CHTR2AHTR2B
SCHEMBL25820350 0.66 GRM5 (0.40)
SCHEMBL19121323 0.66 KMT2A (0.50) ALDH1A1KDM4EALOX15HTR2CHTR2A

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-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed