SCHEMBL7166986

SCHEMBL7166986

OC(COc1ccc(F)cc1)CN1CCC(=C2c3ccc(F)cc3CCn3ncnc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.47
TSHR P16473 1/20 0.45
CACNA1G O43497 6/20 0.43
KCNH2 Q12809 3/20 0.43
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7136262 0.77 PTAFR (0.43) HRH1TSHRKCNH2
SCHEMBL9284701 0.77 SIGMAR1 (0.42) HRH1MEN1KMT2A
Water SCHEMBL7140424 0.76 PTAFR (0.40) HRH1KCNH2PRMT5WDR77
SCHEMBL7140680 0.76 PTAFR (0.40) HRH1KCNH2
SCHEMBL7139726 0.75 HRH1 (0.38) HRH1KCNH2
SCHEMBL7141837 0.75 HRH1 (0.50) HRH1TSHRKCNH2MEN1KMT2A
SCHEMBL7141253 0.74 PTAFR (0.38) HRH1KCNH2MEN1KMT2A
Oxalic Acid SCHEMBL7138856 0.72 HTR5A (0.49) HRH1
Oxalic Acid SCHEMBL7143554 0.71 LMNA (0.41) HRH1TSHRCACNA1GKCNH2MEN1
Oxalic Acid SCHEMBL7143552 0.71 LMNA (0.41) HRH1TSHRCACNA1GKCNH2MEN1

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-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed