SCHEMBL23938306

SCHEMBL23938306

COC1CN(N)Cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.37
▸ CTSD P07339 4/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTR2A P28223 4/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ HTR2C P28335 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL18255841 0.84 SLC6A4 (0.42) SRD5A1KCNH2SLC6A4HRH3
SCHEMBL23938535 0.81 HTR2A (0.41) PNMTAADATSRD5A1HTR2ACHRNB2
SCHEMBL20013725 0.81 KCNH2 (0.37) CTSDSRD5A1KCNH2HTR2ACHRNB2
SCHEMBL18252819 0.81 KCNH2 (0.44) PNMTCTSDSRD5A1KCNH2HTR2A
SCHEMBL18254951 0.71 CHRNB2 (0.45) PNMTHTR2ACHRNB2CHRNA4CHRNB4
SCHEMBL12183955 0.70 DPP7 (0.47) PNMTCTSDAADATKCNH2ALDH1A1
SCHEMBL23938293 0.68 SLC6A4 (0.43) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL18255842 0.68 SRD5A1 (0.42) SRD5A1CHRNB2CHRNA4ALDH1A1SLC6A4
SCHEMBL18255846 0.68 SRD5A1 (0.42) SRD5A1CHRNB2CHRNA4ALDH1A1SLC6A4
SCHEMBL18254950 0.68 SLC6A4 (0.44) PNMTSRD5A1CHRNB2CHRNA4CHRNB4

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-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 — — EP disclosed
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