SCHEMBL11847447

SCHEMBL11847447

CC(C)(N)C1CCCN1C1c2ccccc2Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PGR P06401 7/20 0.37
▸ ATM Q13315 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 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
SCHEMBL11841202 0.96 KDM4E (0.48) TSHRKDM4EUSP2MAPTPGR
SCHEMBL11845163 0.74 KDM4E (0.41) TSHRKDM4EUSP2MAPTPGR
SCHEMBL11847454 0.71 HTR2C (0.45) TSHRKDM4EUSP2MAPT
SCHEMBL11845059 0.71 PGR (0.38) TSHRKDM4EUSP2MAPTPGR
SCHEMBL27851767 0.70 TSHR (0.59) TSHRKDM4EUSP2MAPTATM
SCHEMBL11843939 0.69 KDM4E (0.38) TSHRKDM4EUSP2MAPTPGR
Hydrochloric Acid SCHEMBL27833742 0.69 TSHR (0.57) TSHRKDM4EUSP2MAPTATM
SCHEMBL11861840 0.69 TSHR (0.61) TSHRKDM4EUSP2MAPTATM
SCHEMBL11841207 0.68 HTR2C (0.44) TSHRKDM4EUSP2MAPT
SCHEMBL1524562 0.66 MAPT (0.44) TSHRKDM4EUSP2MAPTATM

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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