SCHEMBL9627796

SCHEMBL9627796

CCCNCC1CCc2ccc(O)cc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.57
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 1/20 0.45
HTR1A P08908 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
SCHEMBL9627831 0.81 DRD2 (0.51) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL11652411 0.80 ESR1 (0.66) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL10468985 0.79 HTR1A (0.47) MTNR1AMTNR1BDRD2MAOAMAOB
SCHEMBL8899165 0.78 MTNR1A (0.61) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL3412841 0.74 MTNR1A (0.57) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL9628583 0.74 ESR1 (0.55) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL3407376 0.74 MTNR1A (0.57) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL3407380 0.74 MTNR1A (0.57) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL9627819 0.74 ADRA2A (0.57) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL3411465 0.74 ESR1 (0.62) NQO2MTNR1AMTNR1BESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281261-B1 3-AMINOMETHYL DERIVATIVES OF INDANE, INDOLINE AND DIHYDROBENZOFURANE AND DIHYDROBENZOTHIOPHENE H. LUNDBECK A/S (DK) 1992-05-06 EP disclosed
US-4946863-A CNS-affecting 6-oxy-3-aminomethyl indanes, compositions thereof, and method of treating therewith H. LUNDBECK A/S (DK) 1990-08-07 US disclosed
US-4847254-A CNS affecting 5-oxy-3-aminomethyl-dihydro-benzofurans and benzothiophenes H. LUNDBECK A/S (DK) 1989-07-11 US disclosed
EP-0281261-A2 3-Aminomethyl derivatives of indane, indoline and dihydrobenzofurane and dihydrobenzothiophene H. LUNDBECK A/S (DK) 1988-09-07 EP disclosed