SCHEMBL10549005

SCHEMBL10549005

c1ccc(NCc2cc3ccccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
IDO1 P14902 2/20 0.50
OPRK1 P41145 1/20 0.50
CASR P41180 2/20 0.48
NLRP3 Q96P20 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5321763 0.82 CYP19A1 (0.50) IDO1MAPT
SCHEMBL4275946 0.81 TAAR1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4274050 0.80 TAAR1 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1229637 0.79 LOXL2 (0.60) LOXL2IDO1OPRK1CASRMTNR1A
SCHEMBL24027062 0.78 LOXL2 (0.63) LOXL2IDO1OPRK1CASRKDM4E
SCHEMBL1460651 0.78 LOXL2 (0.58) LOXL2IDO1OPRK1CASRMTNR1A
SCHEMBL8292122 0.78 GAA (0.48) LOXL2KDM4EALDH1A1GAAMAPT
SCHEMBL4104078 0.77 OPRK1 (0.73) LOXL2IDO1OPRK1
SCHEMBL3740363 0.77 MTNR1A (0.48) IDO1CASRNLRP3KDM4EALDH1A1
SCHEMBL3560619 0.76 IDO1 (0.58) LOXL2IDO1OPRK1KDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN claimed
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN disclosed
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN disclosed
CN-108892634-B Indolylmethylaniline compound and application thereof 浙江工业大学 2021-04-23 CN disclosed
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 US disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed