SCHEMBL7401043

SCHEMBL7401043

O=C(c1cccc(CCl)c1)N1CC[CH]CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.45
CYP2D6 P10635 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 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
SCHEMBL29809468 0.88 HPGD (0.59) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL5727652 0.88 HPGD (0.59) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL7030360 0.86 HPGD (0.60) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL17078828 0.84 ALDH1A1 (0.61) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL5655904 0.84 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL14698464 0.82 MEN1 (0.54) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL7397800 0.81 ALDH1A1 (0.48) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL28410476 0.78 FOLH1 (0.46) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL8894983 0.78 MEN1 (0.75) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL7898794 0.77 MEN1 (0.55) SMN1; SMN2LMNAMEN1KMT2AMAPK1

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-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 WO disclosed