SCHEMBL22437591

SCHEMBL22437591

C[CH]CCCc1ccc(CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.42
▸ LOXL2 Q9Y4K0 4/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ ABAT P80404 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ PSIP1 O75475 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MAOA P21397 1/20 0.35

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
SCHEMBL11639779 0.80 CYP1A2 (0.48) HRH3TAAR1CYP1A2CYP2A6
SCHEMBL9154608 0.78 TAAR1 (0.47) TAAR1
SCHEMBL11336831 0.78 TAAR1 (0.47) LOXL2TAAR1
SCHEMBL9150568 0.78 ESR1 (0.55) TAAR1
SCHEMBL31524115 0.78 HRH3 (0.58) HRH3LOXL2HTR2AABATTAAR1
SCHEMBL6312084 0.78 HRH3 (0.58) HRH3LOXL2HTR2AABATTAAR1
SCHEMBL430012 0.77 SIGMAR1 (0.54) MAOA
SCHEMBL11127803 0.77 ESR1 (0.59) HTR2A
SCHEMBL9149013 0.75 CALM1 (0.58) TAAR1
SCHEMBL394855 0.75 HTR2A (0.61) HRH3HTR2A

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-3710059-A1 CLEAVABLE CONJUGATES OF TLR7/8 AGONIST COMPOUNDS, METHODS FOR PREPARATION, AND USES THEREOF Dynavax Technologies Corporation (US) 2020-09-23 — — EP disclosed
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