SCHEMBL23969379

SCHEMBL23969379

C=C(CC)c1cc(F)ccc1CCCN(C)CCNC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.36
SIGMAR1 Q99720 1/20 0.35
SLC6A4 P31645 2/20 0.33
TAAR1 Q96RJ0 2/20 0.31
LTA4H P09960 1/20 0.31
HTR2A P28223 2/20 0.30
RIPK1 Q13546 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL23969395 0.93 SIGMAR1 (0.39) MPOSIGMAR1TAAR1HTR2ARIPK1
SCHEMBL22175911 0.88 SLC6A4 (0.36) MPOSIGMAR1SLC6A4HTR2A
SCHEMBL22176371 0.87 SIGMAR1 (0.36) SIGMAR1
SCHEMBL22176388 0.85 MPO (0.43) MPOSIGMAR1SLC6A4TAAR1
SCHEMBL22175865 0.84 MPO (0.42) MPOSIGMAR1SLC6A4TAAR1
SCHEMBL22176536 0.82 RIPK1 (0.32) MPOTAAR1RIPK1
SCHEMBL22176363 0.76 MPO (0.46) MPOSLC6A4
SCHEMBL22175889 0.74 MAPT (0.39) MPOMETAP2
SCHEMBL22175910 0.74 MPO (0.46) MPOSLC6A4
SCHEMBL22176518 0.74 MPO (0.42) MPOSIGMAR1SLC6A4TAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed