SCHEMBL13858700

SCHEMBL13858700

O=C(O)N[C@H]1CNC[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.51
FPR1 P21462 2/20 0.49
FPR2 P25090 2/20 0.49
KDM1A O60341 3/20 0.49
MAOA P21397 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ROCK2 O75116 3/20 0.48
BACE1 P56817 1/20 0.46
MAOB P27338 1/20 0.45
MAPK1 P28482 3/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
EPHX2 P34913 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL13858703 1.00 SSTR4 (0.51) SSTR4FPR1FPR2KDM1AMAOA
SCHEMBL3423982 1.00 SSTR4 (0.51) SSTR4FPR1FPR2KDM1AMAOA
SCHEMBL17846269 0.88 SSTR4 (0.48) SSTR4FPR1FPR2KDM1AMAOA
SCHEMBL14818993 0.88 SMN1; SMN2 (0.66) SSTR4FPR1FPR2KDM1AMAOA
Hydrochloric Acid SCHEMBL13858414 0.87 SSTR4 (0.47) SSTR4FPR1FPR2KDM1AMAOA
Hydrochloric Acid SCHEMBL13858412 0.87 SSTR4 (0.47) SSTR4FPR1FPR2KDM1AMAOA
Hydrochloric Acid SCHEMBL13858416 0.87 SSTR4 (0.47) SSTR4FPR1FPR2KDM1AMAOA
SCHEMBL14804460 0.84 KDM1A (0.46) SSTR4FPR1FPR2KDM1AMAOA
SCHEMBL13858649 0.83 AKT1 (0.45)
SCHEMBL13858498 0.83 AKT1 (0.45)

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-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed