SCHEMBL26401026

SCHEMBL26401026

O=C(NC1CCCCC1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.71
CD38 P28907 3/20 0.60
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
RAB9A P51151 5/20 0.58
MAPT P10636 1/20 0.58
NPC1 O15118 5/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP3A4 P08684 1/20 0.54
BAZ2B Q9UIF8 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
ADH5 P11766 1/20 0.51
TAOK1 Q7L7X3 1/20 0.51

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
SCHEMBL8534210 0.87 HTR2A (0.56) KMT2ACD38HTR2AHTR2CHTR2B
SCHEMBL25135607 0.85 RAB9A (0.57) KMT2ACD38HTR2BRAB9AMAPT
SCHEMBL30363943 0.84 NPC1 (0.55) KMT2ACD38HTR2BRAB9ANPC1
SCHEMBL25135545 0.84 NPC1 (0.55) KMT2ACD38HTR2BRAB9ANPC1
SCHEMBL25135626 0.81 CD38 (0.54) KMT2ACD38HTR2AHTR2CHTR2B
SCHEMBL30363914 0.81 CD38 (0.54) KMT2ACD38HTR2AHTR2CHTR2B
SCHEMBL25135727 0.80 CD38 (0.61) KMT2ACD38RAB9ANPC1HPGD
SCHEMBL8537662 0.80 LMNA (0.64) KMT2ASMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL30363676 0.79 CD38 (0.53) KMT2ACD38HTR2AHTR2CHTR2B
SCHEMBL25135529 0.79 CD38 (0.53) KMT2ACD38HTR2AHTR2CHTR2B

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-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed