SCHEMBL9735805

SCHEMBL9735805

CCC(CCc1ccc(OCC2CCCCC2)cc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.45
HTT P42858 1/20 0.43
ACACB O00763 2/20 0.43
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
FFAR1 O14842 1/20 0.43
HPGD P15428 1/20 0.40
ADAM17 P78536 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
Hydrochloric Acid SCHEMBL9734365 0.99 GRM2 (0.44) GRM2HTTACACBPARP15PARP10
SCHEMBL9734629 0.83 ACACB (0.48) GRM2HTTACACBPARP15PARP10
Hydrochloric Acid SCHEMBL9734134 0.82 ACACB (0.47) GRM2HTTACACBPARP15PARP10
Hydrochloric Acid SCHEMBL10515740 0.80 FFAR1 (0.45) PARP15PARP10FFAR1
SCHEMBL14534755 0.79 PARP15 (0.53) GRM2PARP15PARP10FFAR1HPGD
SCHEMBL10515131 0.76 HRH3 (0.49)
SCHEMBL14508997 0.76 PARP15 (0.55) GRM2PARP15PARP10FFAR1HPGD
Hydrochloric Acid SCHEMBL9733970 0.75 HRH3 (0.47)
SCHEMBL9734156 0.75 PARP15 (0.49) GRM2HTTACACBPARP15PARP10
SCHEMBL9734859 0.74 GRM2 (0.47) GRM2ACACB

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