SCHEMBL7875306

SCHEMBL7875306

CSc1ccc(OCC(C)(C)NCC(O)Cn2ccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.51
RAB9A P51151 1/20 0.48
TBXAS1 P24557 1/20 0.45
POLB P06746 2/20 0.43
QPCT Q16769 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL7873868 0.87 ADRB1 (0.52) ADRB1RAB9APOLBCYP3A4
SCHEMBL7879607 0.87 ADRB1 (0.52) ADRB1RAB9ATBXAS1POLBKDM4E
SCHEMBL7868600 0.83 QPCT (0.53) POLBQPCTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7877310 0.81 QPCT (0.51) POLBQPCTKDM4EMEN1KMT2A
SCHEMBL9021320 0.80 ADRB1 (0.41) ADRB1RAB9ATBXAS1POLBCYP3A4
SCHEMBL9021323 0.79 ADRB1 (0.40) ADRB1RAB9ATBXAS1KDM4E
SCHEMBL7875310 0.74 ADRB1 (0.42) ADRB1RAB9APOLBCYP3A4KDM4E
SCHEMBL10925018 0.71 TBXAS1 (0.49) TBXAS1QPCTCYP3A4
SCHEMBL11706183 0.70 RAB9A (0.65) RAB9APOLBCYP3A4KDM4EMEN1
SCHEMBL7877352 0.70 KMT2A (0.63) RAB9APOLBQPCTKDM4EMEN1

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 6 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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed