SCHEMBL23938293

SCHEMBL23938293

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.43
▸ SLC6A2 P23975 9/20 0.43
▸ SLC6A3 Q01959 9/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ HTR2A P28223 3/20 0.42
▸ HTR2C P28335 3/20 0.42
▸ HTR2B P41595 3/20 0.42
▸ SRD5A1 P18405 1/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ DDR1 Q08345 2/20 0.40
▸ DDR2 Q16832 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL18255844 0.84 SRD5A1 (0.42) SLC6A4SLC6A2SLC6A3HRH3SRD5A1
SCHEMBL18255846 0.84 SRD5A1 (0.42) SLC6A4SLC6A2SLC6A3HRH3SRD5A1
SCHEMBL18254950 0.84 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HRH3SRD5A1
SCHEMBL18255842 0.84 SRD5A1 (0.42) SLC6A4SLC6A2SLC6A3HRH3SRD5A1
SCHEMBL23938535 0.83 HTR2A (0.41) HTR2AHTR2CHTR2BSRD5A1CA1
SCHEMBL5249380 0.81 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HRH3CYP2D6
SCHEMBL18255841 0.81 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HRH3SRD5A1
SCHEMBL2200079 0.76 HTR2A (0.57) HTR2AHTR2CHTR2BSRD5A1CA1
SCHEMBL2056192 0.74 DPP7 (0.47) HTR2AHTR2CHTR2BSRD5A1
SCHEMBL1248718 0.74 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3

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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