SCHEMBL21649751

SCHEMBL21649751

O=CN1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 8/20 0.57
KMT2A Q03164 1/20 0.57
PKM P14618 1/20 0.56

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
SCHEMBL4148001 0.86 POLB (0.56) HTR2BKMT2APKM
SCHEMBL2276872 0.82 ALDH1A1 (0.59) HTR2BKMT2APKM
SCHEMBL6883705 0.82 PKM (0.62) HTR2BKMT2APKM
SCHEMBL7504482 0.82 HTR2B (0.59) HTR2BKMT2APKM
SCHEMBL12950773 0.82 HTR2B (0.59) HTR2BKMT2APKM
Hydrochloric Acid SCHEMBL31596380 0.81 MAPT (0.57) HTR2BKMT2APKM
SCHEMBL4121296 0.80 HTR2B (0.72) HTR2B
SCHEMBL6756134 0.79 NPC1 (0.59) HTR2BKMT2A
SCHEMBL2674802 0.79 HTR2B (0.55) HTR2BKMT2A
SCHEMBL21393307 0.79 HTR2B (0.63) HTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826997-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA SA (ES) 2021-11-10 EP disclosed
WO-2020020873-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA, S.A. (ES) 2020-01-30 WO disclosed
EP-3599235-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA, S.A. (ES) 2020-01-29 EP disclosed