SCHEMBL7958314

SCHEMBL7958314

Oc1cccc2c1ccn2CCOCC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.50
P2RX7 Q99572 3/20 0.40
HTR6 P50406 3/20 0.38
MCL1 Q07820 2/20 0.35
BAD Q92934 1/20 0.35
CYP24A1 Q07973 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32

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
SCHEMBL7962718 0.88 HTR2C (0.49) HTR2CP2RX7HTR6MCL1BAD
SCHEMBL7960415 0.83 HTR2C (0.51) HTR2C
SCHEMBL7958387 0.80 HTR2C (0.51) HTR2CHTR6MCL1BADMEN1
SCHEMBL7958447 0.80 MCL1 (0.54) HTR6MCL1BADMEN1KMT2A
SCHEMBL7959061 0.80 HTR2C (0.54) HTR2CP2RX7HTR6MCL1BAD
SCHEMBL7958451 0.78 HTR2C (0.49) HTR2CHTR6MCL1BADMEN1
SCHEMBL2038502 0.76 HTR2C (0.63) HTR2CHTR6
SCHEMBL3245076 0.72 HTR2C (0.66) HTR2CHTR6CDK4CCND1
SCHEMBL28760998 0.71 HTR2C (0.57) HTR2CHTR6MCL1BADKMT2A
SCHEMBL4652431 0.70 HTR2C (0.69) HTR2CHTR6CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed