SCHEMBL10840722

SCHEMBL10840722

Clc1cccc2c1NC1CCCCC1C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR5A P47898 1/20 0.35
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TAS1R3 Q7RTX0 2/20 0.31
▸ TAS1R1 Q7RTX1 2/20 0.31
▸ TAS1R2 Q8TE23 2/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ PRCP P42785 1/20 0.30
▸ PNMT P11086 1/20 0.30
▸ HTR1A P08908 2/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL10840488 0.81 PNMT (0.32) HTR2CHTR2BPNMT
SCHEMBL10840462 0.81 NOS2 (0.35) HTR5AKMT2ALMNATSHRTAS1R3
SCHEMBL10838832 0.78 HTR2A (0.33) TSHRHTR2CHTR2BPOLB
SCHEMBL10840853 0.77 CNR1 (0.31) HTR2C
SCHEMBL10841145 0.77 PNMT (0.34) KMT2ATAS1R3TAS1R1TAS1R2HTR2C
SCHEMBL5208272 0.73 TSHR (0.49) LMNATSHRHTR2CHTR2BPRCP
SCHEMBL5213527 0.73 TSHR (0.49) LMNATSHRHTR2CHTR2BPRCP
SCHEMBL26075115 0.71 TSHR (0.47) LMNATSHRHTR2CHTR2BPRCP
SCHEMBL10839656 0.71 KDM4E (0.35) KMT2AHTR2CHTR2B
SCHEMBL5880335 0.69 TSHR (0.45) LMNATSHRPRCP

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-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 — — EP disclosed
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