SCHEMBL9464997

SCHEMBL9464997

O=C(CNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
PREP P48147 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSC P53634 1/20 0.47
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
FUCA1 P04066 1/20 0.43
TERT O14746 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 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
SCHEMBL9464553 1.00 ALDH1A1 (0.58) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL941594 0.88 HTR2C (0.59) ALDH1A1HTR2CHTR2BMEN1KMT2A
SCHEMBL11337359 0.84 HTR2C (0.55) ALDH1A1HTR2CHTR2BPREPMEN1
Proline SCHEMBL28412300 0.84 ALDH1A1 (0.54) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL23630151 0.83 ALDH1A1 (0.56) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL2228391 0.82 ALDH1A1 (0.55) ALDH1A1HTR2CHTR2BPREPMEN1
SCHEMBL8773302 0.81 HTR2C (0.63) HTR2CHTR2BMEN1KMT2ACTSC
SCHEMBL8134909 0.81 HTR2C (0.63) HTR2CHTR2BMEN1KMT2ACTSC
SCHEMBL8134913 0.81 HTR2C (0.63) HTR2CHTR2BMEN1KMT2ACTSC
Hydrochloric Acid SCHEMBL11262139 0.81 HTR2C (0.50) ALDH1A1HTR2CHTR2BPREPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189061-A Fungicide BAYER AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
US-5026710-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
US-4963548-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-16 US disclosed