SCHEMBL29087415

SCHEMBL29087415

NC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.61
▸ SIGMAR1 Q99720 3/20 0.54
▸ DRD4 P21917 3/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ OPRL1 P41146 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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 0.91 OPRL1 (0.57) CCR3SIGMAR1DRD2OPRL1KDM4E
SCHEMBL19331018 0.87 OPRL1 (0.47) CCR3SIGMAR1OPRL1KDM4EKMT2A
SCHEMBL29087368 0.85 SIGMAR1 (0.52) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL19330960 0.83 CHRM2 (0.47) CCR3DRD4DRD2DRD3OPRL1
SCHEMBL2476831 0.81 OPRL1 (0.65) CCR3SIGMAR1DRD2OPRL1KMT2A
SCHEMBL24685392 0.81 KDM4E (0.46) CCR3SIGMAR1OPRL1KDM4EKMT2A
Hydrochloric Acid SCHEMBL6543403 0.80 POLB (0.66) CCR3SIGMAR1DRD2OPRL1KMT2A
SCHEMBL24685832 0.79 CCR3 (0.61) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL29087358 0.79 CCR3 (0.83) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL19331312 0.79 CYP2D6 (0.49) SIGMAR1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288414-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 — — EP disclosed
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 — — CN disclosed
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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