SCHEMBL25398994

SCHEMBL25398994

COCc1ccc2c(c1)c(CCN)cn2C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.49
▸ ADRB2 P07550 1/20 0.48
▸ HTR1D P28221 2/20 0.42
▸ HTR2A P28223 1/20 0.38
▸ EGFR P00533 6/20 0.38
▸ IGF1R P08069 6/20 0.38
▸ FLT4 P35916 6/20 0.38
▸ KDR P35968 6/20 0.38
▸ SPR P35270 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1B P28222 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
SCHEMBL25100768 0.81 HTR6 (0.47) HTR6ADRB2HTR1DHTR2AEGFR
SCHEMBL10716608 0.80 POLB (0.46) HTR6ADRB2HTR1DHTR2AHASPIN
SCHEMBL10494794 0.80 HTR6 (0.42) HTR6ADRB2HTR1DHTR2A
SCHEMBL7749047 0.74 HTR2A (0.68) HTR6HTR2A
SCHEMBL28309971 0.69 ADRB2 (0.67) HTR6ADRB2HTR1DHTR2AEGFR
SCHEMBL6664111 0.67 HTR2A (0.56) HTR6ADRB2HTR2A
SCHEMBL4460363 0.66 TAAR1 (0.47) —
SCHEMBL25951463 0.66 HTR6 (0.41) HTR6
SCHEMBL10695378 0.66 HTR6 (0.58) HTR6HTR1DHTR1AHTR1B
SCHEMBL1130016 0.65 ADRB2 (1.00) HTR6ADRB2HTR1DHTR2AHTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177294-A1 TRANSMUCOSAL DELIVERY OF PSYCHOACTIVE COMPOUNDS PLETHORA THERAPEUTICS B.V. (NL) 2023-09-21 — — WO claimed
WO-2023177294-A1 TRANSMUCOSAL DELIVERY OF PSYCHOACTIVE COMPOUNDS PLETHORA THERAPEUTICS B.V. (NL) 2023-09-21 — — WO disclosed
Send feedback