SCHEMBL11853407

SCHEMBL11853407

O=C(CCN1CCC2(CC1)OC(c1ccccc1)c1ccccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.56
▸ ALDH1A1 P00352 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ GFER P55789 1/20 0.48
▸ OPRD1 P41143 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ DRD2 P14416 1/20 0.45
▸ HTR1A P08908 1/20 0.45

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
SCHEMBL11859455 0.87 DRD2 (0.61) SIGMAR1KMT2ADRD2
SCHEMBL11859292 0.80 SIGMAR1 (0.60) SIGMAR1OPRD1KCNH2
SCHEMBL11843820 0.79 OPRD1 (0.47) SIGMAR1OPRD1KCNH2
SCHEMBL11858736 0.78 OPRD1 (0.54) SIGMAR1OPRD1KCNH2
SCHEMBL11857293 0.78 OPRD1 (0.47) SIGMAR1OPRD1KCNH2HTR1A
SCHEMBL11684907 0.77 SIGMAR1 (0.70) SIGMAR1OPRD1
SCHEMBL11682900 0.77 OPRD1 (0.48) SIGMAR1OPRD1KCNH2
SCHEMBL11843286 0.77 OPRD1 (0.46) SIGMAR1OPRD1KCNH2
SCHEMBL11850101 0.77 OPRD1 (0.50) SIGMAR1OPRD1KCNH2
SCHEMBL11681373 0.77 OPRD1 (0.60) SIGMAR1OPRD1KCNH2

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-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 — — US disclosed
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