SCHEMBL21856353

SCHEMBL21856353

CN1CCN(c2cccc(N[C@@H]3CCN(C=CC=O)C3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ ADRA2C P18825 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ EML4 Q9HC35 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ RCOR1 Q9UKL0 1/20 0.38
▸ PLOD2 O00469 1/20 0.38
▸ PLOD3 O60568 1/20 0.38

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
SCHEMBL21856314 0.81 DDR1 (0.39) DRD3HRH4
SCHEMBL21856309 0.79 SPR (0.43) —
SCHEMBL21958721 0.77 EGFR (0.53) EGFRJAK3
SCHEMBL21958170 0.77 EGFR (0.53) EGFRJAK3
SCHEMBL21856323 0.76 IDH2 (0.45) —
SCHEMBL5543197 0.71 ADRA2C (0.54) HTR2AHTR6HTR2CHTR1AHTR7
SCHEMBL27522705 0.69 ADRA2C (0.54) HTR2AHTR6HTR2CHTR1AHTR7
SCHEMBL21856357 0.68 RHOC (0.40) —
SCHEMBL2378486 0.68 ADRA2C (0.61) HTR2AHTR6HTR2CHTR1AHTR7
SCHEMBL21856331 0.67 TAS2R14 (0.39) —

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
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
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