SCHEMBL17051649

SCHEMBL17051649

Cc1cnc2c(ccc3cc(C)ncc32)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.67
▸ CCR5 P51681 2/20 0.67
▸ CCR8 P51685 2/20 0.67
▸ PSMD14 O00487 2/20 0.49
▸ COPS5 Q92905 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 5/20 0.44
▸ CYP2A6 P11509 3/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ IL5 P05113 1/20 0.42
▸ NFKBIA P25963 1/20 0.38
▸ SLC40A1 Q9NP59 4/20 0.37
▸ UHRF1 Q96T88 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
SCHEMBL13338189 0.82 CCR1 (0.69) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL30492603 0.81 CCR1 (1.00) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL686948 0.81 CCR1 (1.00) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL17051661 0.81 CYP1A2 (0.56) CCR1CCR5CCR8CYP1A2CYP2A6
SCHEMBL17532753 0.78 CCR1 (0.54) CCR1CCR5CCR8CYP1A2CYP2A6
SCHEMBL14006846 0.78 CCR1 (0.59) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL9041309 0.77 CCR1 (0.67) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL29720393 0.77 CCR1 (0.67) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL17051638 0.77 CCR1 (0.60) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL16902262 0.74 CCR1 (0.76) CCR1CCR5CCR8PSMD14COPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 — — US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 — — US disclosed
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