SCHEMBL7947445

SCHEMBL7947445

O=C1N(Cc2ccccc2)CCCC1(CCN1CCC(O)(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.41
HRH1 P35367 11/20 0.41
CYP2D6 P10635 10/20 0.41
HTR3A P46098 1/20 0.39
TP53 P04637 1/20 0.39
KCNH2 Q12809 5/20 0.39
CHRM1 P11229 4/20 0.39
NR4A2 P43354 1/20 0.38
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1387253 0.96 SSTR5 (0.42) SSTR5HRH1CYP2D6HTR3ATP53
SCHEMBL8303798 0.92 SSTR5 (0.41) SSTR5HRH1CYP2D6HTR3ATP53
SCHEMBL8307210 0.88 SSTR5 (0.41) SSTR5HRH1CYP2D6HTR3ATP53
SCHEMBL1388865 0.87 HRH1 (0.52) HRH1TACR1
SCHEMBL1387145 0.85 HRH1 (0.53) SSTR5HRH1TACR2TACR1
SCHEMBL7954465 0.84 HRH1 (0.49) SSTR5HRH1TACR1ALDH1A1
SCHEMBL7961463 0.83 HRH1 (0.51) SSTR5HRH1CYP2D6HTR3ATP53
SCHEMBL7962558 0.83 HRH1 (0.50) SSTR5HRH1TACR1
SCHEMBL1387148 0.82 HRH1 (0.51) HRH1TACR1
SCHEMBL8303800 0.82 SSTR5 (0.38) SSTR5HRH1CYP2D6HTR3ATP53

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