SCHEMBL6586750

SCHEMBL6586750

Clc1nsnc1N1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.58
POLB P06746 1/20 0.53
CCR3 P51677 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 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
SCHEMBL2962629 0.76 SIGMAR1 (1.00) SIGMAR1POLBCCR3
SCHEMBL6550825 0.76 SIGMAR1 (1.00) SIGMAR1POLBCCR3
SCHEMBL6587599 0.76 KMT2A (0.60) POLBALDH1A1KMT2A
SCHEMBL4555805 0.75 MAPT (0.48) SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL7718541 0.74 SIGMAR1 (1.00) SIGMAR1POLB
SCHEMBL9373810 0.73 SIGMAR1 (1.00) SIGMAR1
SCHEMBL11801794 0.73 CCR3 (0.89) SIGMAR1CCR3KDM4EALDH1A1KMT2A
SCHEMBL4555931 0.72 ALDH1A1 (0.42) KDM4EALDH1A1KMT2A
SCHEMBL6589366 0.72 HTR1A (0.61) KMT2A
Hydrochloric Acid SCHEMBL9311548 0.71 POLB (0.60) SIGMAR1POLBCCR3KDM4EALDH1A1

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