SCHEMBL29876415

SCHEMBL29876415

c1ccc2c(-n3cnc4c3CCNC4)n[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ NR2E1 Q9Y466 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TTK P33981 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ IDO1 P14902 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
SCHEMBL21772160 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BKDM4EHTR5A
SCHEMBL29497097 0.77 CYP1A2 (0.34) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL10095080 0.75 PDK2 (0.41) HTR2CHTR2AHTR2B
SCHEMBL16035377 0.71 PLD1 (0.44) HTR2CCYP3A4CYP1A2MAPK1HSD17B10
SCHEMBL29689603 0.69 P2RX7 (0.44) —
SCHEMBL311147 0.68 MAPK1 (0.52) KDM4EGAAPDPK1CYP3A4MAPK1
SCHEMBL20831669 0.68 HCAR1 (0.46) HTR2CHTR2AHTR2BKDM4ECYP3A4
SCHEMBL5880449 0.66 ADRB1 (0.43) ALDH1A1HPGDHTR6
SCHEMBL29468202 0.65 KDM4E (0.54) HTR2CHTR2AKDM4EHTR5AGAA
SCHEMBL1132419 0.65 KDM4E (0.54) HTR2CHTR2AKDM4EHTR5AGAA

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
CN-119403552-A Nazucchini for delivery by aerosolized oral inhalation 施万生物制药研发IP有限责任公司 2025-02-07 — — CN disclosed
WO-2022178215-A1 AMINO AMIDE TETRAHYDRO IMIDAZO PYRIDINES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-08-25 — — WO disclosed
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