SCHEMBL9145368

SCHEMBL9145368

C[C@H](CN1CCc2c([nH]c3ccccc23)C1)Nc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
SIGMAR1 Q99720 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
DHFR P00374 1/20 0.48

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
SCHEMBL9058469 1.00 HTR1A (0.51) HTR1ASIGMAR1TRPV1MEN1KMT2A
SCHEMBL9145271 0.81 HDAC1 (0.56) HTR1ATRPV1MEN1KMT2AHDAC1
SCHEMBL9144249 0.78 HTR5A (0.51) HDAC6
SCHEMBL9144256 0.78 HTR5A (0.51) HDAC6
SCHEMBL22549325 0.77 HTR1A (0.62) HTR1ASIGMAR1MEN1KMT2AKDM4E
SCHEMBL10614344 0.74 SIGMAR1 (0.60) HTR1ASIGMAR1
SCHEMBL24405173 0.74 HTR1A (0.58) HTR1ASIGMAR1MEN1KMT2AKDM4E
SCHEMBL6369610 0.74 HTR1A (0.71) HTR1ASIGMAR1MEN1KMT2AKDM4E
SCHEMBL17517486 0.73 SIGMAR1 (0.68) HTR1ASIGMAR1MEN1KMT2AKDM4E
SCHEMBL1415530 0.71 HTR1A (0.81) HTR1ASIGMAR1MEN1KMT2AKDM4E

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
US-5439915-A Anxiolytic agents, antidepressants; for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-08 US disclosed