SCHEMBL11548124

SCHEMBL11548124

O=C(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HTR1A P08908 4/20 0.48
DRD2 P14416 3/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
HRH1 P35367 2/20 0.48
DRD3 P35462 2/20 0.48
HTR2B P41595 2/20 0.48
SLC6A4 P31645 1/20 0.48
KDM4E B2RXH2 2/20 0.47

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
Hydrochloric Acid SCHEMBL11541436 0.99 KMT2A (0.54) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL11545203 0.93 KMT2A (0.65) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL11545924 0.85 DRD2 (0.64) KMT2AOPRM1OPRD1OPRK1ALDH1A1
Hydrochloric Acid SCHEMBL11543149 0.83 DRD2 (0.63) KMT2AOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9120363 0.81 KMT2A (0.83) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL14282966 0.81 OPRD1 (0.60) OPRM1OPRD1OPRK1HTR1ADRD2
SCHEMBL9250848 0.81 OPRM1 (0.44) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL13562512 0.79 KMT2A (0.67) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL9121163 0.79 KMT2A (0.81) KMT2AMEN1HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL9120510 0.78 KMT2A (0.78) KMT2AMEN1HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4180583-A ANTIHISTAMINES, ANTIALLERGENS AND BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1979-12-25 US claimed