SCHEMBL7964319

SCHEMBL7964319

Cc1ccc(CNCCCO)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.71
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ HDAC3 O15379 2/20 0.53
▸ HDAC4 P56524 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HDAC9 Q9UKV0 2/20 0.53
▸ HDAC5 Q9UQL6 2/20 0.53
▸ PDCD1 Q15116 1/20 0.49
▸ CD274 Q9NZQ7 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL7991882 0.88 CHRM2 (0.64) CHRM2MEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL3668846 0.87 MEN1 (0.65) CHRM2MEN1KMT2AKDM4EPOLB
SCHEMBL4919923 0.83 CHRM2 (0.75) CHRM2MEN1KMT2AKDM4EPOLB
SCHEMBL11922802 0.82 CHRM2 (0.74) CHRM2MEN1KMT2AHDAC3HDAC4
SCHEMBL30512338 0.81 MAOA (0.61) CHRM2MEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL3671076 0.81 LMNA (0.61) CHRM2MEN1KMT2AKDM4EPOLB
SCHEMBL11983494 0.81 CHRM2 (0.67) CHRM2MEN1KMT2AHDAC3HDAC4
SCHEMBL4917450 0.81 CHRM2 (0.79) CHRM2MEN1KMT2AHDAC3HDAC4
SCHEMBL4913672 0.81 CHRM2 (0.79) CHRM2MEN1KMT2AHDAC3HDAC4
SCHEMBL5032223 0.81 CHRM2 (0.79) CHRM2MEN1KMT2AHDAC3HDAC4

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-6218397-B1 FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES PFIZER INC 2001-04-17 — — US disclosed
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 — — EP disclosed
EP-0674642-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 — — EP disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 — — WO disclosed
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