SCHEMBL31019019

SCHEMBL31019019

Cc1c(CO)cccc1[C@@H](C)c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ PDCD1 Q15116 2/20 0.37
▸ CD274 Q9NZQ7 2/20 0.37
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ ADRA2A P08913 4/20 0.33
▸ ADRA2B P18089 4/20 0.33
▸ ADRA2C P18825 4/20 0.33
▸ ADRA1A P35348 3/20 0.33
▸ ADRA1B P35368 3/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL787338 1.00 GABRA1 (0.38) GABRA1GABRG2GABRB3PDCD1CD274
SCHEMBL30724484 1.00 GABRA1 (0.38) GABRA1GABRG2GABRB3PDCD1CD274
SCHEMBL787933 1.00 GABRA1 (0.38) GABRA1GABRG2GABRB3PDCD1CD274
SCHEMBL29626322 1.00 GABRA1 (0.38) GABRA1GABRG2GABRB3PDCD1CD274
SCHEMBL787299 1.00 GABRA1 (0.38) GABRA1GABRG2GABRB3PDCD1CD274
SCHEMBL9518132 0.87 GABRA1 (0.33) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL24658618 0.87 ADRA2A (0.33) GABRA1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL24658889 0.87 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL20880768 0.85 GABRA1 (0.35) GABRA1GABRG2GABRB3
SCHEMBL19559589 0.84 PDCD1 (0.34) GABRA1GABRG2GABRB3PDCD1CD274

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
EP-4642453-A1 (S)-(3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL FOR TREATMENT OF AGITATION Alceptor Therapeutics, Inc. (US) 2025-11-05 — — EP disclosed
WO-2024145347-A1 (S)-(3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL FOR TREATMENT OF AGITATION ALCEPTOR THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
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