SCHEMBL11847979

SCHEMBL11847979

CCCCN(CCCC)C1CCCN(C2c3ccccc3Oc3ccccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR1A P08908 1/20 0.33

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
SCHEMBL11851912 0.93 TSHR (0.42) TSHRKDM4EMAPTUSP2KMT2A
SCHEMBL11846257 0.88 TSHR (0.46) TSHRKDM4EMAPTUSP2KMT2A
SCHEMBL11855903 0.81 KDM4E (0.43) TSHRKDM4EMAPTUSP2DRD2
SCHEMBL11841936 0.80 TSHR (0.42) TSHRKDM4EMAPTUSP2KMT2A
SCHEMBL11846912 0.78 TSHR (0.44) TSHRKDM4EMAPTUSP2KMT2A
SCHEMBL11842297 0.77 TSHR (0.45) TSHRKDM4EMAPTUSP2KMT2A
SCHEMBL11854443 0.76 KDM4E (0.34) TSHRKDM4EMAPTUSP2KMT2A
SCHEMBL11850013 0.75 CHRM2 (0.46) TSHRKDM4EMAPTUSP2CHRM2
Sulfuric Acid SCHEMBL11852585 0.75 TSHR (0.41) TSHRKDM4EMAPTUSP2KMT2A
SCHEMBL11846292 0.75 KDM4E (0.50) TSHRKDM4EMAPTUSP2KMT2A

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-3980788-A XANTHENYL COMPOUNDS SMITHKLINE CORPORATION (US) 1976-09-14 — — US disclosed
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