SCHEMBL31377482

SCHEMBL31377482

CN(C)CCC1CNc2ccc(F)cc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.38
MPO P05164 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 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
SCHEMBL26602774 1.00 TACR2 (0.38) TACR2MPOTAAR1CHRNB2CHRNB4
SCHEMBL8260934 0.83 TACR2 (0.39) TACR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3956306 0.80 TACR2 (0.39) TACR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29572531 0.80 TACR2 (0.39) TACR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5493492 0.80 TACR2 (0.39) TACR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3956308 0.80 TACR2 (0.39) TACR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26645821 0.80 HTR1D (0.37)
SCHEMBL7436995 0.80 HTR6 (0.46) HTR2AHTR2C
SCHEMBL26645819 0.80 HTR1D (0.37)
SCHEMBL26639689 0.80 HTR6 (0.46) HTR2AHTR2C

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
CN-119522212-A Indoline derivatives as serotonergic agents for the treatment of related disorders 思维模式制药公司 2025-02-25 CN disclosed