SCHEMBL7677787

SCHEMBL7677787

O=C(Cl)c1cc([N+](=O)[O-])cc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GFER P55789 1/20 0.35
▸ ACHE P22303 2/20 0.35
▸ HSP90AA1 P07900 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
SCHEMBL5750687 0.86 KMT2A (0.49) SMN1; SMN2LMNAMAPTNCOA3MEN1
SCHEMBL19255040 0.84 KMT2A (0.48) SMN1; SMN2LMNAMAPTNCOA3MEN1
SCHEMBL11729721 0.83 KMT2A (0.46) SMN1; SMN2LMNAMAPTNCOA3MEN1
SCHEMBL4265834 0.81 MEN1 (0.45) SMN1; SMN2LMNAMAPTNCOA3MEN1
SCHEMBL8298958 0.76 KMT2A (0.41) SMN1; SMN2LMNAMAPTNCOA3MEN1
SCHEMBL30503600 0.75 GPR35 (0.44) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL2594851 0.75 GPR35 (0.44) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6986834 0.74 NLRP3 (0.44) SMN1; SMN2LMNAMAPTNCOA3MEN1
SCHEMBL2592052 0.73 CYP3A4 (0.44) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL1716137 0.73 ALDH1A1 (0.43) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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
US-6403601-B1 TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. ASTRAZENECA AB (SE) 2002-06-11 — — US disclosed
EP-1137637-A1 N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-10-04 — — EP disclosed
WO-2000034243-A1 N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-06-15 — — WO disclosed
Send feedback