SCHEMBL7675604

SCHEMBL7675604

Clc1n[c]cc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ POLB P06746 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL352791 0.81 KMT2A (0.51) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL27892245 0.79 KMT2A (0.46) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL856718 0.76 MAPT (0.61) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL27787101 0.74 ATR (0.44) —
SCHEMBL7676555 0.74 CYP1A2 (0.50) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL21143680 0.73 CRHBP (0.40) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL29762330 0.71 MAPT (0.70) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL856815 0.71 MAPT (0.70) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL27794167 0.71 AURKA (0.40) —
SCHEMBL1110658 0.70 PIK3CA (0.50) MAPTCYP1A2CYP2D6KMT2AMEN1

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
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 — — US disclosed
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