SCHEMBL7465508

SCHEMBL7465508

O=C(c1nc2ccccc2n1Cc1ccc(CO)o1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.41
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR4A2 P43354 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
REN P00797 2/20 0.35
HTR3A P46098 2/20 0.35
BRD4 O60885 1/20 0.35
CNR2 P34972 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
TSPO P30536 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL7469554 0.84 HRH1 (0.49) HRH1TACR2TACR1MAPTALDH1A1
Hydrochloric Acid SCHEMBL7887857 0.81 HTR3A (0.52) HRH1TACR2TACR1NR4A2KCNH2
SCHEMBL7471630 0.80 HRH1 (0.44) HRH1TACR2TACR1MAPTSMN1; SMN2
SCHEMBL9260920 0.79 KDM4E (0.50) HPGDALDH1A1KMT2A
SCHEMBL9383332 0.79 KCNH2 (0.44) HDAC1HDAC8HDAC6NR4A2KCNH2
SCHEMBL7470479 0.79 HRH1 (0.50) HRH1TACR2TACR1HDAC1HDAC8
SCHEMBL7474308 0.79 HRH1 (0.62) HRH1TACR2TACR1NR4A2KCNH2
SCHEMBL6996422 0.78 KCNH2 (0.62) HRH1TACR2TACR1NR4A2KCNH2
SCHEMBL7468259 0.77 HTR3A (0.54) HDAC1HDAC8HDAC6MAPTHPGD
SCHEMBL9695580 0.77 POLB (0.60) HRH1TACR2TACR1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed