SCHEMBL9549236

SCHEMBL9549236

O=C1CCCCCN1CBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
CHRM4 P08173 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIK3CD O00329 1/20 0.45
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL12139554 0.98
SCHEMBL7622224 0.91
SCHEMBL9321537 0.83 L3MBTL1 (0.49) L3MBTL1HRH3KMT2ACHRM2CHRM5
SCHEMBL3834112 0.81 KMT2A (0.60) L3MBTL1HRH3KMT2ACHRM2CHRM5
SCHEMBL11168301 0.80
SCHEMBL990667 0.80 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACHRM2CHRM5
SCHEMBL11473882 0.77 L3MBTL1 (0.52) L3MBTL1HRH3KMT2ACHRM2CHRM5
SCHEMBL7810580 0.77 L3MBTL1 (0.52) L3MBTL1HRH3KMT2ACHRM2CHRM5
SCHEMBL22601369 0.77 L3MBTL1 (0.52) L3MBTL1HRH3KMT2ACHRM2CHRM5
SCHEMBL11469728 0.77 L3MBTL1 (0.56) L3MBTL1HRH3KMT2ACHRM2CHRM5

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
EP-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 EP disclosed
US-4837013-A VISCOSITY ENHANCING AND HAIR CONDITIONING PROPERTIES GAF CORPORATION (US) 1989-06-06 US disclosed