SCHEMBL9868353

SCHEMBL9868353

COc1ccc2c(c1)CCC1CC(=O)N(c3ccccn3)N=C21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 2/20 0.49
PDCD1 Q15116 4/20 0.48
CD274 Q9NZQ7 4/20 0.48
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR1A P08908 1/20 0.46
GRM7 Q14831 3/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD2 P14416 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9866508 0.85 HTR1A (0.43) SLC11A2PDCD1CD274HTR2AHTR2C
SCHEMBL9865443 0.85 MAPT (0.43) HTR2AHTR2CHTR1AMEN1KMT2A
SCHEMBL9867723 0.85 CD274 (0.43) PDCD1CD274GRM7CYP19A1
SCHEMBL10366166 0.81 MEN1 (0.43) HTR2AHTR2CMEN1NPC1RAB9A
SCHEMBL9865351 0.81 HTR1A (0.53) HTR2AHTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL10445024 0.80 HTR1A (0.51) HTR2AHTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL10445023 0.80 HTR1A (0.51) HTR2AHTR2CHTR1ADRD2
SCHEMBL10366227 0.78 CD274 (0.50) PDCD1CD274HTR2AHTR2CHTR1A
SCHEMBL10365961 0.75 APP (0.43) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL10367982 0.73 MEN1 (0.48) MEN1NPC1KMT2AALDH1A1MAPT

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed