SCHEMBL7736561

SCHEMBL7736561

NC(CN1CCN(Cc2cc(Cl)ccc2Cl)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.39
CHRM1 P11229 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39

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
SCHEMBL5884404 0.76 KMT2A (0.46) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6928421 0.74 MEN1 (0.50) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL27435293 0.69 MAPT (0.50) MEN1KMT2ALMNASMN1; SMN2DRD2
SCHEMBL6474949 0.69 HTR1A (0.52) LMNASMN1; SMN2DRD2KDM4EALDH1A1
SCHEMBL315973 0.69 MEN1 (0.97) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL12511057 0.67 ACHE (0.74) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL13479650 0.67 MEN1 (0.73) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL6931647 0.66 GAA (0.55) MEN1KMT2ADRD2DRD4
SCHEMBL1980423 0.66 MEN1 (0.75) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL1471179 0.65 CYP1A2 (0.49) MEN1KMT2AALDH1A1CYP1A2

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-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
US-6071920-A BIND TO 5HT 1A RECEPTORS FOR TREATING DISORDERS OF THE LOWER URINARY TRACT; CNS DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; HYPOTENSIVE AGENTS; SLEEP AND EATING DISORDERS RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2000-06-06 US disclosed