SCHEMBL11262644

SCHEMBL11262644

CN1c2ccccc2CCC1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
SRD5A1 P18405 6/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41
ALOX15 P16050 1/20 0.41
CCND1 P24385 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
ADRA1A P35348 3/20 0.40
DRD3 P35462 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 3/20 0.40
HTR1A P08908 2/20 0.40
DRD1 P21728 2/20 0.40
OPRM1 P35372 2/20 0.40

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
SCHEMBL18648462 0.80 HTR2A (0.42) SLC6A2SLC6A4ADRA1AKCNH2ADRA2A
SCHEMBL15222054 0.78 POLB (0.51) MTNR1ASRD5A1MEN1KMT2ACHRM2
SCHEMBL29659945 0.78 POLB (0.51) MTNR1ASRD5A1MEN1KMT2ACHRM2
SCHEMBL811848 0.78 POLB (0.51) MTNR1ASRD5A1MEN1KMT2ACHRM2
SCHEMBL9230128 0.78 POLB (0.51) MTNR1ASRD5A1MEN1KMT2ACHRM2
SCHEMBL23505301 0.77 MTNR1A (0.49) MTNR1ASRD5A1ALDH1A1MEN1USP2
SCHEMBL28842199 0.77 MTNR1A (0.46) MTNR1ASRD5A1ALDH1A1MEN1USP2
SCHEMBL30018725 0.77 MTNR1A (0.46) MTNR1ASRD5A1ALDH1A1MEN1USP2
SCHEMBL28136142 0.77 MTNR1A (0.46) MTNR1ASRD5A1ALDH1A1MEN1USP2
SCHEMBL21312439 0.77 HDAC1 (0.48) MTNR1ASRD5A1CHRM2CHRM1SLC6A2

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
EP-0047671-A1 Penicillanoyloxymethyl penicillanate 1,1,1'-tetraoxide PFIZER INC. (US) 1982-03-17 EP disclosed