SCHEMBL7868474

SCHEMBL7868474

CC(C)(NCCCn1cnc(CCN)c1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTOR P42345 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CPB2 Q96IY4 7/20 0.35
QPCTL Q9NXS2 1/20 0.34
CPB1 P15086 3/20 0.33
LMNA P02545 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
Hydrochloric Acid SCHEMBL7873720 0.99 TDP1 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL8444492 0.86 QPCTL (0.37) CYP2C9CYP2C19CPB2QPCTLLMNA
SCHEMBL9022145 0.82 KDM4E (0.35) CYP2C19TDP1CPB2LMNA
SCHEMBL8445998 0.82 QPCTL (0.48) QPCTL
SCHEMBL7877119 0.81 SMN1; SMN2 (0.40) CYP2C9CYP2C19TDP1CPB2QPCTL
SCHEMBL7875247 0.81 ESRRG (0.42)
SCHEMBL7876986 0.80 ALDH1A1 (0.41) LMNA
SCHEMBL8648870 0.76 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL8446165 0.76 L3MBTL1 (0.49) TDP1QPCTLLMNA
Hydrochloric Acid SCHEMBL8648938 0.76 TDP1 (0.37) CYP2C9TSHRCYP2C19MTORHRH4

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-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