SCHEMBL11249035

SCHEMBL11249035

O=C(NCCCNCCc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
NPC1 O15118 3/20 0.81
RAB9A P51151 3/20 0.81
CDK4 P11802 6/20 0.70
CCND1 P24385 6/20 0.70
SIRT1 Q96EB6 3/20 0.67
TRPV1 Q8NER1 1/20 0.64
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ACHE P22303 2/20 0.61
BCHE P06276 1/20 0.61

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
SCHEMBL4331421 0.90 MEN1 (1.00) MEN1KMT2ANPC1RAB9ACDK4
Cyanide SCHEMBL31484737 0.86 MEN1 (0.92) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL14303574 0.85 MEN1 (0.90) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL1514510 0.84 MEN1 (0.78) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL11246728 0.81 MEN1 (0.70) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL15047821 0.81 MEN1 (0.82) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL28448761 0.81 MEN1 (0.77) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL28906084 0.81 NPC1 (0.78) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL13942340 0.80 MEN1 (0.81) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL17232881 0.80 MC5R (0.83) MEN1KMT2AMAPTBCHE

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-4350634-A HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1982-09-21 US disclosed
EP-0000355-B1 NEW INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ AG (CH) 1982-01-06 EP disclosed