Sugi Predict

Sugi Predict / Compounds / SCHEMBL9734859

SCHEMBL9734859

SCHEMBL9734859

CCC(CCc1ccc(OCC2CCCCC2)cc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HRH3 Q9Y5N1 9/20 0.46
▸ PRKDC P78527 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ ACACB O00763 2/20 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
Hydrochloric Acid SCHEMBL9734462 0.99 GRM2 (0.46) GRM2MEN1KMT2AHRH3PRKDC
SCHEMBL28705461 0.74 KMT2A (0.50) MEN1KMT2AHRH3
SCHEMBL9735805 0.74 GRM2 (0.45) GRM2ACACB
SCHEMBL14534755 0.73 PARP15 (0.53) GRM2MEN1KMT2A
Hydrochloric Acid SCHEMBL9734365 0.73 GRM2 (0.44) GRM2ACACB
Hydrochloric Acid SCHEMBL9735106 0.71 HTT (0.45) GRM2ACACB
SCHEMBL14508997 0.70 PARP15 (0.55) GRM2
SCHEMBL765879 0.70 PARP15 (0.51) GRM2ACACB
SCHEMBL9734156 0.70 PARP15 (0.49) GRM2ACACB
SCHEMBL9734629 0.70 ACACB (0.48) GRM2MEN1KMT2AACACB

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-5135955-A Anticoagulants or antifungal activity ELI LILLY AND COMPANY (US) 1992-08-04 — — US disclosed
EP-0339878-A2 Propanamine derivatives ELI LILLY AND COMPANY (US) 1989-11-02 — — EP disclosed