SCHEMBL7756380

SCHEMBL7756380

CC1CNCC[C@]1(C)c1cccc(NS(=O)(=O)c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
BRD4 O60885 2/20 0.43
GAA P10253 1/20 0.42
MAP2K7 O14733 1/20 0.41
MAP2K4 P45985 1/20 0.41
PARP1 P09874 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NAMPT P43490 2/20 0.38
CYP17A1 P05093 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
LMNA P02545 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL7756374 1.00 KMT2A (0.47) KMT2ABRD4GAAMAP2K7MAP2K4
SCHEMBL7754596 0.85 PKM (0.45) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL6659963 0.81 OPRM1 (0.43) BRD4ALDH1A1POLBSMN1; SMN2OPRM1
SCHEMBL6659961 0.81 OPRM1 (0.43) BRD4ALDH1A1POLBSMN1; SMN2OPRM1
SCHEMBL7755259 0.80 BRD4 (0.49) KMT2ABRD4GAAALDH1A1HTT
SCHEMBL6653714 0.79 OPRM1 (0.47) KMT2ABRD4PARP1ALDH1A1OPRM1
SCHEMBL6653711 0.79 OPRM1 (0.47) KMT2ABRD4PARP1ALDH1A1OPRM1
SCHEMBL6656153 0.77 TSHR (0.43) KMT2AGAAPARP1TSHRALDH1A1
SCHEMBL6661166 0.77 TSHR (0.43) KMT2AGAAPARP1TSHRALDH1A1
SCHEMBL7756051 0.76 OPRM1 (0.44) KMT2ABRD4SMN1; SMN2NAMPTOPRM1

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