SCHEMBL7917103

SCHEMBL7917103

COc1ccccc1CCNC(=O)Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.80
KMT2A Q03164 3/20 0.74
MEN1 O00255 2/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
POLB P06746 2/20 0.70
MTNR1A P48039 2/20 0.67
MTNR1B P49286 2/20 0.67
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 1/20 0.59
HPGD P15428 2/20 0.57

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
SCHEMBL1796007 0.90 TAAR1 (0.69) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL6377511 0.85 MTNR1A (0.68) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL17117231 0.84 HPGD (0.73) TAAR1MTNR1AMTNR1BHPGD
SCHEMBL14241869 0.84 MTNR1A (0.72) TAAR1MTNR1AMTNR1BHPGD
SCHEMBL11896371 0.83 MTNR1A (0.77) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL28465013 0.81 NPC1 (0.81) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL6380843 0.81 ALDH1A1 (0.70) TAAR1KMT2AMEN1POLBALDH1A1
SCHEMBL28000837 0.81 KMT2A (0.64) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL1010724 0.80 MTNR1A (1.00) TAAR1MTNR1AMTNR1BHPGD
SCHEMBL14893135 0.79 MTNR1A (0.74) TAAR1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225352-B1 USEFUL AS AGENTS IN THE TREATMENT OF CANCER, ALZHEIMERS DISEASE, THROMBOSIS, INFLAMMATORY DISEASES, AND BACTERIAL RESISTANCE WARNER-LAMBERT COMPANY 2001-05-01 US claimed
WO-1998006691-A2 LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO claimed
US-6225352-B1 USEFUL AS AGENTS IN THE TREATMENT OF CANCER, ALZHEIMERS DISEASE, THROMBOSIS, INFLAMMATORY DISEASES, AND BACTERIAL RESISTANCE WARNER-LAMBERT COMPANY 2001-05-01 US disclosed
WO-1998006691-A2 LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed