SCHEMBL7873868

SCHEMBL7873868

CC(C)(COc1ccc(Cl)cc1)NCC(O)Cn1ccnc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.52
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.45
CYP19A1 P11511 1/20 0.45
ADRA2C P18825 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7879607 0.89 ADRB1 (0.52) ADRB1RAB9APOLBCYP19A1
SCHEMBL7875306 0.87 ADRB1 (0.51) ADRB1RAB9APOLBCYP3A4
SCHEMBL7873818 0.82 PKM (0.59) LMNAPKMPOLBCYP3A4
SCHEMBL7868666 0.81 ADRA2C (0.46) LMNACYP19A1ADRA2C
Hydrochloric Acid SCHEMBL7903386 0.81 PKM (0.58) LMNAPKMPOLBCYP3A4
SCHEMBL10830342 0.80 POLB (0.67) RAB9APKMPOLBCYP19A1ADRA2C
SCHEMBL7875310 0.76 ADRB1 (0.42) ADRB1RAB9APOLBCYP3A4
SCHEMBL11420443 0.76 ADRA2C (0.52) LMNACYP19A1ADRA2CCYP3A4
SCHEMBL11332915 0.75 PKM (0.46) RAB9APKMPOLBCYP19A1ADRA2C
SCHEMBL11070436 0.75 LMNA (0.44) RAB9ALMNAPKMPOLBCYP19A1

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