SCHEMBL7734622

SCHEMBL7734622

COc1cc(N)ccc1C1CNCCN1CCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.39
MAPT P10636 10/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT2B Q92831 2/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE5A O76074 1/20 0.35
SLC2A1 P11166 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
SCHEMBL8017476 0.68 HTR2C (0.41) HTR6CYP2C19HTR2AHTR2CHTR2B
SCHEMBL15728642 0.67 HTR4 (0.47) MAPTGAAALDH1A1HTT
SCHEMBL15210114 0.67 PKM (0.40) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL23908182 0.66 MEN1 (0.51) HTR6MAPTNPSR1POLBLMNA
SCHEMBL6935744 0.66 HTR1A (0.36) MAPTNPSR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL11695821 0.66 KAT2B (0.61) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL5915126 0.66 DRD2 (0.51) HTR6MAPTLMNACYP2C19HTR2A
SCHEMBL6474943 0.65 HTR1A (0.59) LMNA
SCHEMBL9527372 0.64 HTR2C (0.46) HTR6MAPTLMNACYP2C19HTR2A
SCHEMBL6038195 0.64 MAPT (0.69) MAPTPOLBLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US disclosed