SCHEMBL11768689

SCHEMBL11768689

OC1(c2ccccc2)CCN(CCc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 5/20 0.58
▸ DRD2 P14416 4/20 0.58
▸ TRPM8 Q7Z2W7 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ LTA4H P09960 2/20 0.57
▸ PLA2G2A P14555 2/20 0.57
▸ HTR1D P28221 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ SLC6A4 P31645 1/20 0.53
▸ DRD4 P21917 2/20 0.51

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 SCHEMBL11767138 0.99 LTA4H (0.59) DRD3DRD2TRPM8KDM4EMAPT
SCHEMBL32669329 0.86 TRPM8 (0.67) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL11769854 0.85 HTR7 (0.67) DRD3DRD2MAPTSLC6A4DRD4
SCHEMBL11254792 0.81 DRD3 (0.72) DRD3DRD2MAPTSLC6A4DRD4
SCHEMBL6968414 0.78 DRD3 (0.56) DRD3DRD2HTR1DSLC6A4DRD4
SCHEMBL8186456 0.78 HRH3 (0.65) DRD3DRD2KDM4ELTA4HPOLB
SCHEMBL11776900 0.77 DRD2 (0.50) DRD3DRD2TRPM8KDM4EMAPT
SCHEMBL11738116 0.77 HTR6 (0.56) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL6388022 0.77 POLB (0.78) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL11471775 0.75 TRPM8 (0.53) TRPM8KDM4EMAPTLTA4HPLA2G2A

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-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 — — US disclosed
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