SCHEMBL5260556

SCHEMBL5260556

COc1cc([N+](=O)[O-])ccc1OCCBr.COc1cc([N+](=O)[O-])ccc1OCCN1CCC(F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ RET P07949 1/20 0.40
▸ KIF5B P33176 1/20 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
SCHEMBL5255573 0.95 MCHR1 (0.50) MCHR1KCNH2ADRA1AADRA1BSMN1; SMN2
SCHEMBL14370282 0.84 ALDH1A1 (0.49) MCHR1ADRA1AADRA1BSMN1; SMN2MAPT
SCHEMBL5257155 0.83 MCHR1 (0.50) MCHR1KCNH2ADRA1AADRA1BSMN1; SMN2
SCHEMBL5257435 0.83 MCHR1 (0.50) MCHR1KCNH2ADRA1AADRA1BSMN1; SMN2
SCHEMBL3863267 0.82 KDM4E (0.53) MCHR1ADRA1AADRA1BSMN1; SMN2MAPT
SCHEMBL1929569 0.81 MAPT (0.58) SMN1; SMN2MAPTNPC1CYP1A2CYP3A4
SCHEMBL3860586 0.81 ADRA1A (0.49) MCHR1ADRA1AADRA1BSMN1; SMN2MAPT
SCHEMBL264564 0.79 LTA4H (0.57) MCHR1SMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL5381777 0.79 LTA4H (0.54) MCHR1SMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL4027368 0.79 SMN1; SMN2 (0.46) MCHR1ADRA1AADRA1BSMN1; SMN2MAPT

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-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 — — EP disclosed
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