SCHEMBL18648124

SCHEMBL18648124

CCc1ccc2c(ccn2CCC(C)(C)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.40
▸ PLG P00747 2/20 0.38
▸ PLAU P00749 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ KCNQ4 P56696 1/20 0.35
▸ KCNQ5 Q9NR82 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ RORC P51449 3/20 0.34
▸ ACACB O00763 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL15770690 0.82 CYP19A1 (0.41) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL15782891 0.82 HTR2A (0.51) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL14594165 0.81 ACACB (0.47) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL16479302 0.81 HTR7 (0.46) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL18856958 0.78 HTR7 (0.44) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL18856945 0.78 PLG (0.45) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL16216132 0.78 HTR7 (0.44) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL12257510 0.77 RORC (0.45) HTR7PLGPLAUMTNR1AMTNR1B
SCHEMBL23612457 0.77 KMO (0.54) HTR7MTNR1AMTNR1BTP53RORC
SCHEMBL2035199 0.76 CDK4 (0.63) MTNR1AMTNR1BCDK4CCND1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 — — US disclosed
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