SCHEMBL2419233

SCHEMBL2419233

COC(=O)c1cscc1C1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.41
FABP6 P51161 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
REV1 Q9UBZ9 3/20 0.37
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
CCR5 P51681 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2453353 0.80 SMN1; SMN2 (0.42) RBP4MEN1KMT2ACHRM2CHRM1
SCHEMBL750673 0.79 RBP4 (0.55) RBP4MEN1KMT2ACCR5KDM4E
SCHEMBL2418493 0.74 ALDH1A1 (0.42) RBP4MEN1KMT2ACHRM2CHRM4
SCHEMBL2417525 0.74 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5429190 0.73 ALDH1A1 (0.46) RBP4MEN1KMT2ACHRM2CHRM4
SCHEMBL3229083 0.71 SLC9A1 (0.56) RBP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL16212708 0.71 EED (0.45) RBP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL17398128 0.70 QDPR (0.45) CCR5KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL5439719 0.69 REV1 (0.42) RBP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL3652239 0.69 RBP4 (0.52) RBP4MEN1KMT2AKDM4EALDH1A1

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-2550252-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS Theravance, Inc. (US) 2013-01-30 EP disclosed
WO-2011119461-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE, INC. (US) 2011-09-29 WO disclosed