SCHEMBL6586745

SCHEMBL6586745

Clc1nsnc1N1CCN(C[CH]Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.48
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR2C P28335 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
ACHE P22303 1/20 0.39
SMO Q99835 1/20 0.39
DRD4 P21917 2/20 0.38

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
SCHEMBL6586750 0.79 SIGMAR1 (0.58) ALDH1A1KDM4EKMT2A
SCHEMBL6587595 0.76 HTR1A (0.51) HTR1AALDH1A1MAPTALOX15TSHR
SCHEMBL6586359 0.76 HTR1A (0.58) HTR1AALDH1A1LMNAKDM4EMAPT
SCHEMBL4555805 0.75 MAPT (0.48) HTR1AALDH1A1LMNAKDM4EMAPT
SCHEMBL4555931 0.72 ALDH1A1 (0.42) HTR1AALDH1A1KDM4EMAPTHPGD
SCHEMBL6587599 0.71 KMT2A (0.60) HTR1AALDH1A1MAPTTSHRMEN1
SCHEMBL27793480 0.70 MC4R (0.59) HRH4NPC1RAB9A
SCHEMBL11127227 0.70 SIGMAR1 (0.53) DRD4DRD2DRD3
SCHEMBL4555285 0.68 PLD1 (0.49) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL8708628 0.67 POLB (0.53) ALDH1A1LMNAKDM4EMAPTHPGD

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-1161424-B1 NEW DIAZOLE DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-06-02 EP claimed