SCHEMBL7868656

SCHEMBL7868656

Clc1ccc(CCCNCCCn2ccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
CYP2A6 P11509 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
QPCT Q16769 1/20 0.56
HMOX1 P09601 1/20 0.56
TBXAS1 P24557 1/20 0.52

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
SCHEMBL20570009 0.88 CYP19A1 (0.71) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL6571544 0.87 CYP1A2 (0.61) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL10250244 0.87 HMOX1 (0.72) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL7868470 0.86 QPCT (0.59) CYP19A1QPCTHMOX1TBXAS1
Hydrochloric Acid SCHEMBL408101 0.85 HMOX1 (0.70) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL8447144 0.83 CYP2A6 (0.56) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
Hydrochloric Acid SCHEMBL8446022 0.82 CYP1A2 (0.55) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL7875030 0.81 PKM (0.65) QPCT
SCHEMBL7876961 0.81 SIGMAR1 (0.57) CYP19A1QPCTHMOX1TBXAS1
SCHEMBL9367807 0.81 QPCT (0.60) CYP19A1QPCTHMOX1TBXAS1

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