SCHEMBL9633577

SCHEMBL9633577

COC1CN(Cc2ccccc2I)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.46
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL734423 0.81 TACR1 (0.58) TACR1SIGMAR1
Hydrochloric Acid SCHEMBL28525106 0.80 TACR1 (0.59) TACR1SIGMAR1LMNA
SCHEMBL9633586 0.68 SIGMAR1 (0.39) SIGMAR1HTR2A
SCHEMBL10869037 0.67 DRD2 (0.50) LMNA
SCHEMBL7487266 0.67 TACR1 (0.54) TACR1SIGMAR1
SCHEMBL10212375 0.66 ALDH1A1 (0.58) SIGMAR1HTR2ALMNA
Hydrochloric Acid SCHEMBL8321411 0.66 TACR1 (0.55) TACR1
SCHEMBL9721728 0.66 TACR1 (0.57) TACR1SIGMAR1
SCHEMBL17706256 0.66 MC4R (0.56) SIGMAR1HTR2ALMNA
SCHEMBL21509500 0.65 POLB (0.55) LMNA

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-5100903-A Analgesics ANAQUEST, INC. (US) 1992-03-31 US disclosed