SCHEMBL7755251

SCHEMBL7755251

CC(C)Oc1cccc(C2C=CNCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLK1 P06870 1/20 0.39
HTR2C P28335 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT1 Q96EB6 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL14999424 0.74 HTR2C (0.69) PLGPLAUPLATKLK1HTR2C
SCHEMBL10401412 0.71 HTR2C (0.57) HTR2CHTR6
SCHEMBL4169709 0.71 SLC18A3 (0.42) SMN1; SMN2KMT2AGAA
Hydrochloric Acid SCHEMBL4473284 0.70 SLC18A3 (0.41) SMN1; SMN2KMT2AGAA
SCHEMBL3854914 0.69 PLG (0.41) PLGPLAUPLATKLK1HTR2C
SCHEMBL1364503 0.68 HTR2C (0.45) PLGPLAUPLATKLK1HTR2C
SCHEMBL6227444 0.68 LMNA (0.50) MEN1KMT2AGAAKDM4E
SCHEMBL2968363 0.67 RXRA (0.53) TP53SMN1; SMN2MEN1KMT2AGAA
SCHEMBL14382847 0.67 PLG (0.47) PLGPLAUPLATKLK1HTR2C
SCHEMBL13647244 0.64 SLC6A2 (0.45) PLGPLAUPLATSMN1; SMN2MEN1

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
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 WO disclosed