SCHEMBL11052023

SCHEMBL11052023

O=C1CCCC(=O)N1CCCCBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
FAAH O00519 3/20 0.40
MGLL Q99685 3/20 0.40
HTR7 P34969 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
HTR1A P08908 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4531618 0.93 MEN1 (0.55) MEN1POLBKMT2AFAAHMGLL
SCHEMBL10973154 0.91 FAAH (0.46) MEN1POLBKMT2AFAAHMGLL
SCHEMBL6580205 0.84 KMT2A (0.48) MEN1POLBKMT2AFAAHMGLL
SCHEMBL4390120 0.84 MEN1 (0.44) MEN1POLBKMT2AFAAHMGLL
SCHEMBL9036648 0.83 POLB (0.38) MEN1POLBKMT2AFAAHMGLL
SCHEMBL1764371 0.79 MEN1 (0.55) MEN1POLBKMT2ASMN1; SMN2LMNA
SCHEMBL718406 0.78 MGLL (0.61) MEN1POLBKMT2AFAAHMGLL
SCHEMBL14359370 0.78 POLB (0.53) MEN1POLBKMT2AFAAHMGLL
SCHEMBL8829446 0.78 FAAH (0.53) MEN1POLBKMT2AFAAHMGLL
SCHEMBL1764564 0.77 MEN1 (0.35) MEN1POLBKMT2AFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432978-A NEUROLEPTIC AGENTS, TRANQUILIZERS PFIZER INC. (US) 1984-02-21 US disclosed
US-4431649-A TRANQUILIZERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4431646-A TRANQUILIZERS; PSYCHOSIS; NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4427679-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS PFIZER INC. (US) 1984-01-24 US disclosed
EP-0060610-A1 Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents PFIZER INC. (US) 1982-09-22 EP disclosed
US-4337250-A NEUROLEPTIC AGENTS PFIZER INC. (US) 1982-06-29 US disclosed
US-4024151-A MEDICINE E. R. SQUIBB & SONS, INC. (US) 1977-05-17 US disclosed
US-4012374-A CENTRAL NERVOUS SYSTEM DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1977-03-15 US disclosed