SCHEMBL13086096

SCHEMBL13086096

OCCNCCc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.57
HPGD P15428 2/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
NQO2 P16083 1/20 0.53
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL8794788 0.91 HPGD (0.64) MTNR1AHPGDNQO2TDP1CYP1A2
SCHEMBL16106842 0.90 MTNR1A (0.54) MTNR1AHPGDHTR1DHTR1BNQO2
SCHEMBL27550 0.81 CYP1A2 (0.54) MTNR1AHPGDNQO2TDP1CYP1A2
SCHEMBL8858591 0.80 NQO2 (0.58) MTNR1AHPGDHTR1BNQO2CYP1A2
SCHEMBL2255099 0.79 MTNR1A (0.62) MTNR1AHPGDNQO2TDP1CYP1A2
SCHEMBL16106841 0.79 MTNR1A (0.54) MTNR1AHPGDNQO2TDP1CA12
SCHEMBL3987787 0.78 HPGD (0.51) MTNR1AHPGDNQO2CYP1A2CYP2C9
SCHEMBL14544011 0.78 CA12 (0.59) MTNR1AHPGDNQO2CYP1A2CYP2C9
SCHEMBL9049841 0.78 SIGMAR1 (0.62) MTNR1AHPGD
SCHEMBL29860607 0.78 MTNR1A (0.60) MTNR1AHPGDNQO2TDP1CYP1A2

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
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-7354923-B2 Piperazine melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2008-04-08 US disclosed
US-7354923-B2 Piperazine melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2008-04-08 US disclosed