SCHEMBL10838832

SCHEMBL10838832

Cc1c(Cl)ccc2c1NC1CCCCC1C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.33
▸ HTR2C P28335 4/20 0.33
▸ HTR2B P41595 4/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ POLB P06746 2/20 0.31
▸ CES1 P23141 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NR4A1 P22736 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL10839656 0.84 KDM4E (0.35) HTR2AHTR2CHTR2B
SCHEMBL10840488 0.84 PNMT (0.32) HTR2AHTR2CHTR2B
SCHEMBL10840722 0.78 AHR (0.37) HTR2CHTR2BPOLBTSHR
SCHEMBL10840462 0.75 NOS2 (0.35) HTR2AHTR2CHTR2BCREBBPALDH1A1
SCHEMBL10840853 0.72 CNR1 (0.31) HTR2C
SCHEMBL10840724 0.68 BRD4 (0.39) HTR2AHTR2CHTR2BKCNH2CES1
SCHEMBL10841145 0.66 PNMT (0.34) HTR2AHTR2CHTR2BCES1
SCHEMBL10840013 0.66 HTR2C (0.40) HTR2AHTR2CHTR2BMAPTMAPK1
SCHEMBL10840693 0.66 LMNA (0.34) TSHRSMN1; SMN2
SCHEMBL28994087 0.65 HTR2C (0.42) HTR2AHTR2CHTR2BKCNH2CES1

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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