SCHEMBL6484058

SCHEMBL6484058

COc1ccccc1N1CCN(C(=O)CC(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.63
ALDH1A1 P00352 6/20 0.58
MAPT P10636 6/20 0.58
LMNA P02545 4/20 0.58
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLC6A5 Q9Y345 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL6484201 0.88 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL6976802 0.86 CACNA2D1 (0.66) HTR1AALDH1A1MAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL6482751 0.85 CACNA2D1 (0.65) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL6484692 0.81 HTR1A (0.81) HTR1AALDH1A1MAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL6971387 0.80 HTR1A (0.79) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL6936851 0.78 HTR1A (0.69) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL1580405 0.75 MAPT (0.86) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL11556531 0.74 MAPK1 (0.69) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL12781882 0.74 TSHR (0.73) ALDH1A1LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL20419343 0.74 TSHR (0.68) ALDH1A1LMNASMN1; SMN2TSHRRAB9A

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-6894052-B1 Serotonergic receptor antagonist RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2005-05-17 US disclosed
EP-1000046-B1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI CHEM PHARM (CH) 2003-11-26 EP disclosed