SCHEMBL24685392

SCHEMBL24685392

Cc1ccc(C2(N)CCN(Cc3ccccc3)C2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ OPRL1 P41146 1/20 0.43
▸ CCR3 P51677 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ RORC P51449 2/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 2/20 0.40

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
SCHEMBL19330837 0.83 OPRL1 (0.57) KDM4EKMT2AOPRL1CCR3POLB
SCHEMBL29087368 0.83 SIGMAR1 (0.52) KDM4EKMT2AOPRL1CCR3POLB
SCHEMBL29087415 0.81 CCR3 (0.61) KDM4EKMT2AOPRL1CCR3POLB
SCHEMBL19331018 0.80 OPRL1 (0.47) KDM4EKMT2AOPRL1CCR3POLB
SCHEMBL15190515 0.76 OPRL1 (0.47) KMT2AOPRL1CCR3POLBCYP3A4
SCHEMBL19330960 0.76 CHRM2 (0.47) KDM4EKMT2AOPRL1CCR3POLB
SCHEMBL3899225 0.75 CYP2D6 (0.50) KDM4EKMT2AOPRL1CCR3POLB
SCHEMBL3908960 0.75 OPRM1 (0.71) OPRL1CCR3POLBOPRM1
SCHEMBL5193076 0.75 OPRM1 (0.52) KMT2AOPRL1CCR3POLBCYP3A4
SCHEMBL29087398 0.75 RORC (0.41) KDM4EKMT2ARORCSIGMAR1LMNA

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-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 — — WO disclosed
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