SCHEMBL7868524

SCHEMBL7868524

COc1ccccc1CCC(C)(C)NCCCn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ QPCT Q16769 5/20 0.48
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP19A1 P11511 3/20 0.47
▸ GLA P06280 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ QPCTL Q9NXS2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL27501759 0.80 SIGMAR1 (0.54) ALDH1A1PKML3MBTL1MEN1KMT2A
SCHEMBL22436181 0.75 TBXAS1 (0.54) L3MBTL1QPCTMEN1KMT2ACYP19A1
SCHEMBL7873758 0.74 TBXAS1 (0.56) ALDH1A1QPCTGAAMEN1KMT2A
SCHEMBL7877352 0.74 KMT2A (0.63) ALDH1A1L3MBTL1QPCTGAAMEN1
SCHEMBL8336583 0.72 CYP19A1 (0.68) ALDH1A1QPCTMEN1KMT2ACYP19A1
SCHEMBL13696720 0.72 CYP11B1 (0.55) ALDH1A1QPCTCYP19A1
SCHEMBL7875158 0.72 ADRB2 (0.41) ALDH1A1L3MBTL1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7873740 0.72 KMT2A (0.64) ALDH1A1L3MBTL1QPCTGAAMEN1
SCHEMBL7876970 0.72 CYP19A1 (0.48) QPCTHTTCYP19A1QPCTLMAPK1
SCHEMBL7873864 0.71 QPCT (0.56) ALDH1A1L3MBTL1QPCTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 — — US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 — — US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 — — US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 — — US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 — — WO disclosed
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