SCHEMBL23938535

SCHEMBL23938535

CC1CN(N)Cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ PNMT P11086 1/20 0.40
▸ DDR1 Q08345 2/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ AADAT Q8N5Z0 1/20 0.39
▸ SRD5A1 P18405 1/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35

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
SCHEMBL23938293 0.83 SLC6A4 (0.43) HTR2AHTR2CHTR2BDDR1DDR2
SCHEMBL23938306 0.81 PNMT (0.37) HTR2AHTR2CHTR2BPNMTAADAT
SCHEMBL12183955 0.73 DPP7 (0.47) PNMTAADATALDH1A1NOTUM
SCHEMBL24500955 0.72 SRD5A1 (0.52) HTR2AHTR2CHTR2BPNMTSRD5A1
SCHEMBL24501866 0.72 SRD5A1 (0.52) HTR2AHTR2CHTR2BPNMTSRD5A1
SCHEMBL18254950 0.71 SLC6A4 (0.44) PNMTSRD5A1CHRNB2CHRNA4CHRNB4
SCHEMBL18255844 0.71 SRD5A1 (0.42) SRD5A1CHRNB2CHRNA4ALDH1A1NOTUM
SCHEMBL18255842 0.71 SRD5A1 (0.42) SRD5A1CHRNB2CHRNA4ALDH1A1NOTUM
SCHEMBL18255846 0.71 SRD5A1 (0.42) SRD5A1CHRNB2CHRNA4ALDH1A1NOTUM
SCHEMBL18252818 0.71 HTR2B (0.42) HTR2AHTR2CHTR2BPNMTAADAT

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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