SCHEMBL21384360

SCHEMBL21384360

O=C(O)N1CCN(c2ncccc2Br)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.51
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TRPA1 O75762 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GRM5 P41594 1/20 0.43
RBP4 P02753 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1433779 0.86 TRPV1 (0.50) TRPV1HSD11B1KMT2AMEN1GAA
SCHEMBL5693374 0.81 TRPA1 (0.64) TRPV1TRPA1
SCHEMBL20139820 0.81 HSD11B1 (0.48) TRPV1HSD11B1KMT2ATRPA1GAA
SCHEMBL20339483 0.81 TRPV1 (0.61) TRPV1HSD11B1KMT2AGAAALDH1A1
SCHEMBL20140927 0.80 CA1 (0.47) TRPV1HSD11B1KMT2ATRPA1GAA
SCHEMBL1433068 0.79 POLB (0.56) TRPV1TRPA1
SCHEMBL30591901 0.79 POLB (0.56) TRPV1TRPA1
SCHEMBL10318897 0.79 HSD11B1 (0.46) TRPV1HSD11B1KMT2ATRPA1GAA
SCHEMBL4879872 0.79 KDM4E (0.60) KMT2AKDM4EALDH1A1
SCHEMBL20406252 0.78 CYP1A2 (0.53) TRPV1KMT2AMEN1GAAKDM4E

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-3768669-A1 PIPERAZINE AZASPIRO DERIVAVES Pfizer Inc (US) 2021-01-27 EP disclosed
WO-2019183636-A1 PIPERAZINE AZASPIRO DERIVAVES PFIZER INC. (US) 2019-09-26 WO disclosed