SCHEMBL10691992

SCHEMBL10691992

CN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCc3cc(Cl)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
RBP4 P02753 5/20 0.48
HRH4 Q9H3N8 1/20 0.48
NOTUM Q6P988 1/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SRD5A1 P18405 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10621470 0.93 RBP4 (0.52) MAPTRBP4HRH4NOTUMMAPK1
SCHEMBL10678967 0.92 RBP4 (0.51) MAPTRBP4HRH4MAPK1HTT
Fumaric Acid SCHEMBL10623505 0.87 HTR1A (0.47) MAPTRBP4HRH4MAPK1TAS1R3
Maleic Acid SCHEMBL10623496 0.87 HTR1A (0.47) MAPTRBP4HRH4MAPK1TAS1R3
Fumaric Acid SCHEMBL10621423 0.86 HTR1A (0.46) MAPTRBP4MAPK1HTTTAS1R3
Maleic Acid SCHEMBL10621414 0.86 HTR1A (0.46) MAPTRBP4MAPK1HTTTAS1R3
SCHEMBL10621469 0.83 KDM4E (0.43) MAPTHRH4KMT2ASRD5A1TDP1
SCHEMBL10623647 0.80 RAB9A (0.44) MAPTNOTUMMEN1KMT2ASRD5A1
SCHEMBL10624542 0.79 KDM4E (0.50) MAPTMAPK1SRD5A1TDP1TSHR
SCHEMBL10624196 0.79 RAB9A (0.54) MAPTMAPK1TAS1R3TAS1R1TAS1R2

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-4723007-A ANALGESICS, ANTIPSYCHOTIC AGENTS; INTERMEDIATES FOR PROCESSING HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-02-02 US claimed