SCHEMBL24316213

SCHEMBL24316213

COc1ccc(CNC2CCCCC2NC(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SSTR3 P32745 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL26620818 0.87 TSHR (0.45) TSHRSSTR3KDM4ELMNAALDH1A1
SCHEMBL6202521 0.80 KDM4E (0.52) TSHRKDM4EALDH1A1
SCHEMBL31613890 0.78 KDM4E (0.45) TSHRKDM4EALDH1A1
SCHEMBL27010653 0.76 TRPV3 (0.39) TSHRSSTR3KDM4EALDH1A1
SCHEMBL27010638 0.76 MAOA (0.52) TSHRALDH1A1
SCHEMBL27010655 0.75 ALDH1A1 (0.39) TSHRSSTR3KDM4ELMNAALDH1A1
SCHEMBL19865668 0.74 ADORA2A (0.39) KDM4ELMNA
SCHEMBL31505955 0.74 CD274 (0.47)
SCHEMBL26996063 0.74 CD274 (0.47)
Hydrochloric Acid SCHEMBL31506100 0.72 CD274 (0.46)

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
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed