SCHEMBL8488451

SCHEMBL8488451

COc1ccc(CN)c(OCCN2CCN(Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.49
▸ HTR1D P28221 2/20 0.49
▸ HTR1B P28222 2/20 0.49
▸ ABCB1 P08183 2/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CCR3 P51677 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL8489397 0.90 ALDH1A1 (0.50) HTR1AHTR1DHTR1BABCB1MEN1
SCHEMBL7370004 0.81 DRD2 (0.50) KMT2AKDM4EALDH1A1MAPK1DRD2
SCHEMBL8489470 0.75 KDM4E (0.60) HTR1AHTR1DHTR1BABCB1MEN1
SCHEMBL8488449 0.74 SIGMAR1 (0.51) HTR1AHTR1DHTR1BMEN1KMT2A
SCHEMBL13020890 0.73 MAPK1 (0.55) KDM4EMAPTMAPK1
SCHEMBL5060367 0.72 HRH3 (0.64) HTR1AMEN1KMT2AALDH1A1MAPT
SCHEMBL2157291 0.71 SIGMAR1 (0.69) ALDH1A1DRD3HRH3
SCHEMBL7371157 0.70 DRD4 (0.58) ALDH1A1MAPK1DRD2DRD4DRD3
SCHEMBL14970728 0.70 LTA4H (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL23775600 0.70 SIGMAR1 (0.68) HRH3

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-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 — — US disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 — — US disclosed
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