SCHEMBL11765784

SCHEMBL11765784

CNC1CCC(c2ccccc2)(c2ccc(Cl)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD11B1 P28845 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
NR1I2 O75469 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL11763463 0.91 MAPK1 (0.44) KDM1AMAPK1SMN1; SMN2ALOX15SLC6A4
SCHEMBL11571053 0.76 KDM1A (0.47) KDM1ARCOR1MAPK1SMN1; SMN2HSD11B1
SCHEMBL11767328 0.76 KDM1A (0.41) KDM1ARCOR1MAPK1SMN1; SMN2HSD11B1
SCHEMBL8992298 0.73 OPRM1 (0.41) KDM1AMAPK1SMN1; SMN2ALOX15
SCHEMBL11765485 0.68 KDM1A (0.50) KDM1ARCOR1SLC6A3SLC6A2SLC6A4
Ethylbenzene SCHEMBL11073829 0.67 OPRL1 (0.44) KDM1ASLC6A4
SCHEMBL11762923 0.67 HTR2C (0.51) MAPK1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL9586032 0.67 ALOX15 (0.40) MAPK1SMN1; SMN2ALOX15HSD11B1
SCHEMBL2019808 0.66 MAPK1 (0.46) MAPK1SMN1; SMN2
SCHEMBL23699058 0.66 OPRL1 (0.65)

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-4053637-A ANTIDEPRESSANTS ASTRA LAKEMEDAL AKTIEBOLAG (SW) 1977-10-11 US disclosed