SCHEMBL7672759

SCHEMBL7672759

OCCN1CCN(Cc2[c]ccnc2N2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PIK3CA P42336 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL7673338 0.81 HRH3 (0.40) PIK3CAPIK3CDLRRK2CYP1A2CYP2C9
SCHEMBL7682463 0.78 HRH3 (0.36) PIK3CAPIK3CDLRRK2CYP1A2CYP2C9
SCHEMBL7675337 0.77 PIK3R1 (0.40) KDM4EPIK3CAHSD17B10LMNAPIK3CD
SCHEMBL7674582 0.76 HRH4 (0.38) KDM4EPIK3CAPIK3CDLRRK2CYP1A2
SCHEMBL7675925 0.75 CYP2D6 (0.45) KDM4EALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL7679170 0.74 CYP2C19 (0.53) KDM4EALDH1A1LMNAKMT2APOLB
SCHEMBL7678922 0.74 HRH3 (0.39) KDM4EALDH1A1TSHRLMNATLR7
SCHEMBL7679625 0.74 HRH3 (0.39) KDM4EALDH1A1TSHRLMNATLR7
SCHEMBL7679097 0.72 CYP2C19 (0.48) ALDH1A1PIK3CAKMT2APOLBTLR7
SCHEMBL7680859 0.72 HTR2C (0.38) TLR7

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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