SCHEMBL8119243

SCHEMBL8119243

O=[N+]([O-])c1ccc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTR2C P28335 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1D P28221 1/20 0.46
MAPK1 P28482 1/20 0.46
BRCA1 P38398 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A4 P31645 2/20 0.45
LMNA P02545 1/20 0.45
DRD2 P14416 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Hydrochloric Acid SCHEMBL11232287 0.82 SLC6A4 (0.63) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL2930792 0.82 SLC6A4 (0.63) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL8924781 0.80 MAPT (0.56) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL8119645 0.79 GABRP (0.51) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL8124604 0.77 GABRP (0.53) MEN1KMT2AMAPTRAB9ASLC6A4
SCHEMBL7867354 0.75 KDM4E (0.58) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL12857292 0.74 SLC6A4 (0.58) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL7487134 0.73 KDM4E (0.65) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL12901101 0.73 KDM4E (0.43) HTR6MEN1KMT2AMAPTALDH1A1
SCHEMBL6339752 0.71 HTR6 (0.47) HTR6MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 EP claimed
EP-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 EP disclosed
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 US disclosed