SCHEMBL7958381

SCHEMBL7958381

OC1(c2nc3ccccc3n2Cc2ccc(F)cc2)CCN(CCC2(Cc3ccccc3)CCCN(Cc3ccccc3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
CYP2D6 P10635 5/20 0.44
HRH1 P35367 4/20 0.44
SSTR5 P35346 2/20 0.43
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
HTR3A P46098 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM1 P11229 3/20 0.40
KCNH2 Q12809 3/20 0.40
HCRTR1 O43613 1/20 0.40
NR4A2 P43354 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
SCHEMBL7947451 0.97 SSTR5 (0.44) KMT2APOLBCYP2D6HRH1SSTR5
SCHEMBL7956819 0.87 HRH1 (0.49) HRH1
SCHEMBL7947466 0.85 HRH1 (0.48) HRH1SSTR5
SCHEMBL7956245 0.82 HRH1 (0.50) HRH1
SCHEMBL7947445 0.81 SSTR5 (0.41) KMT2ACYP2D6HRH1SSTR5ALDH1A1
SCHEMBL7955924 0.81 HRH1 (0.51) HRH1
SCHEMBL1387253 0.80 SSTR5 (0.42) CYP2D6HRH1SSTR5HTR3ACHRM1
SCHEMBL8307210 0.79 SSTR5 (0.41) CYP2D6HRH1SSTR5HTR3ACHRM1
SCHEMBL7956187 0.79 HRH1 (0.49) KMT2AHRH1SSTR5MEN1KCNH2
SCHEMBL8303798 0.77 SSTR5 (0.41) CYP2D6HRH1SSTR5HTR3ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed